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###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis[6,6'-dimethoxy-2,2'-(ethane-1,2-diyldiiminodimethylene)diphenol-
κ²N,N',O,O']cerium(IV)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C36 H44 Ce N4 O8'
_chemical_formula_sum     'C36 H44 Ce N4 O8'
_chemical_formula_iupac     '[Ce (C18 H22 N2 O4)2]'
_chemical_formula_weight     800.87
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     23.166(3)
_cell_length_b     17.803(2)
_cell_length_c     27.883(4)
_cell_angle_alpha     90.00
_cell_angle_beta     110.116(3)
_cell_angle_gamma     90.00
_cell_volume     10798(2)
_cell_formula_units_Z     12
_cell_measurement_reflns_used     9983
_cell_measurement_theta_min     2.288
_cell_measurement_theta_max     25.432
_cell_measurement_temperature     298(2)
_exptl_crystal_description     block
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.39
_exptl_crystal_size_mid     0.35
_exptl_crystal_size_min     0.32
_exptl_crystal_density_diffrn     1.478
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     4920
_exptl_absorpt_coefficient_mu     1.320
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.6270
_exptl_absorpt_correction_T_max     0.6774
_exptl_special_details     ?
_diffrn_ambient_temperature     298(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     53789
_diffrn_reflns_av_R_equivalents     0.0868
_diffrn_reflns_av_sigmaI/netI     0.1169
_diffrn_reflns_theta_min     1.38
_diffrn_reflns_theta_max     25.01
_diffrn_reflns_theta_full     25.01
_diffrn_measured_fraction_theta_max     0.993
_diffrn_measured_fraction_theta_full     0.993
_diffrn_reflns_limit_h_min     -27
_diffrn_reflns_limit_h_max     25
_diffrn_reflns_limit_k_min     -21
_diffrn_reflns_limit_k_max     15
_diffrn_reflns_limit_l_min     -32
_diffrn_reflns_limit_l_max     33
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     18893
_reflns_number_gt     9384
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     fullcycle
_refine_ls_R_factor_all     0.1376
_refine_ls_R_factor_gt     0.0409
_refine_ls_wR_factor_gt     0.0680
_refine_ls_wR_factor_ref     0.0899
_refine_ls_goodness_of_fit_ref     0.936
_refine_ls_restrained_S_all     0.937
_refine_ls_number_reflns     18893
_refine_ls_number_parameters     1328
_refine_ls_number_restraints     48
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0235P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.002
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.404
_refine_diff_density_min     -1.021
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ce' 'Ce' -0.2486 2.6331
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Siemens, 1996)'
_computing_cell_refinement     'SAINT (Siemens, 1996)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997a)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997a)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material     'SHELXTL'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Ce Ce1 0.166408(15) 0.612497(18) 0.244681(12) 0.03286(10) Uani d . 1 . .
    Ce Ce2 0.500039(17) 0.363505(16) 0.252550(13) 0.03030(9) Uani d . 1 . .
    Ce Ce3 0.813354(14) 0.614154(18) 0.260322(12) 0.03200(9) Uani d . 1 . .
    N N1 0.1374(2) 0.7527(2) 0.25877(18) 0.0417(13) Uani d . 1 . .
    H H1 0.1733 0.7738 0.2790 0.050 Uiso calc R 1 . .
    N N2 0.1685(2) 0.7056(2) 0.17293(18) 0.0434(14) Uani d . 1 . .
    H H2 0.1322 0.6976 0.1471 0.052 Uiso calc R 1 . .
    N N3 0.2334(2) 0.5210(2) 0.31513(17) 0.0408(13) Uani d . 1 . .
    H H3 0.2188 0.5262 0.3413 0.049 Uiso calc R 1 . .
    N N4 0.1277(2) 0.4710(2) 0.23386(18) 0.0403(13) Uani d . 1 . .
    H H4 0.1427 0.4516 0.2103 0.048 Uiso calc R 1 . .
    N N5 0.38637(19) 0.4071(2) 0.20709(16) 0.0354(12) Uani d . 1 . .
    H H5 0.3878 0.4371 0.1811 0.042 Uiso calc R 1 . .
    N N6 0.4706(2) 0.4812(2) 0.29591(17) 0.0374(13) Uani d . 1 . .
    H H6 0.4615 0.4628 0.3229 0.045 Uiso calc R 1 . .
    N N7 0.5790(2) 0.3205(2) 0.21020(16) 0.0345(12) Uani d . 1 . .
    H H7 0.5575 0.2898 0.1840 0.041 Uiso calc R 1 . .
    N N8 0.56370(19) 0.2456(2) 0.29685(16) 0.0332(12) Uani d . 1 . .
    H H8 0.5935 0.2633 0.3253 0.040 Uiso calc R 1 . .
    N N9 0.8906(2) 0.5885(2) 0.21137(17) 0.0448(14) Uani d . 1 . .
    H H9 0.8875 0.6298 0.1914 0.054 Uiso calc R 1 . .
    N N10 0.9278(2) 0.6442(2) 0.31416(17) 0.0450(14) Uani d . 1 . .
    H H10 0.9418 0.6017 0.3326 0.054 Uiso calc R 1 . .
    N N11 0.70239(19) 0.6700(2) 0.22247(17) 0.0387(13) Uani d . 1 . .
    H H11 0.6852 0.6448 0.1925 0.046 Uiso calc R 1 . .
    N N12 0.7327(2) 0.5519(2) 0.29500(18) 0.0429(14) Uani d . 1 . .
    H H12 0.7380 0.5761 0.3250 0.051 Uiso calc R 1 . .
    O O1 0.12561(16) 0.61323(19) 0.30492(14) 0.0421(10) Uani d . 1 . .
    O O2 0.1684(2) 0.5513(2) 0.39590(16) 0.0646(14) Uani d . 1 . .
    O O3 0.21289(18) 0.55599(18) 0.19766(14) 0.0443(11) Uani d . 1 . .
    O O4 0.1845(2) 0.4253(2) 0.15020(18) 0.0673(15) Uani d . 1 . .
    O O5 0.25199(16) 0.67230(18) 0.28778(15) 0.0418(10) Uani d . 1 . .
    O O6 0.26090(19) 0.8047(2) 0.33263(17) 0.0605(13) Uani d . 1 . .
    O O7 0.07474(16) 0.60789(19) 0.18667(13) 0.0413(10) Uani d . 1 . .
    O O8 0.0359(2) 0.6610(3) 0.09363(16) 0.0732(14) Uani d U 1 . .
    O O9 0.45368(16) 0.27458(18) 0.19827(14) 0.0363(10) Uani d . 1 . .
    O O10 0.49122(19) 0.2211(2) 0.12549(15) 0.0519(12) Uani d . 1 . .
    O O11 0.58519(16) 0.40551(18) 0.30995(13) 0.0373(10) Uani d . 1 . .
    O O12 0.66051(18) 0.3313(2) 0.38875(15) 0.0499(11) Uani d . 1 . .
    O O13 0.50270(16) 0.45324(17) 0.19886(14) 0.0376(10) Uani d . 1 . .
    O O14 0.40714(18) 0.50746(19) 0.12406(15) 0.0466(11) Uani d . 1 . .
    O O15 0.46334(16) 0.32283(18) 0.31131(13) 0.0379(10) Uani d . 1 . .
    O O16 0.45303(18) 0.3921(2) 0.39183(14) 0.0526(12) Uani d . 1 . .
    O O17 0.76534(17) 0.54835(18) 0.19248(14) 0.0408(10) Uani d . 1 . .
    O O18 0.6606(2) 0.5816(2) 0.12169(16) 0.0616(13) Uani d . 1 . .
    O O19 0.81450(17) 0.67846(19) 0.32756(15) 0.0446(11) Uani d . 1 . .
    O O20 0.7619(2) 0.6416(2) 0.39468(18) 0.0743(16) Uani d U 1 . .
    O O21 0.81996(16) 0.71838(18) 0.21968(14) 0.0408(10) Uani d . 1 . .
    O O22 0.8699(2) 0.7370(2) 0.14839(18) 0.0743(15) Uani d U 1 . .
    O O23 0.85483(16) 0.50883(19) 0.29937(14) 0.0429(11) Uani d . 1 A .
    O O24 0.9627(2) 0.4923(3) 0.37101(19) 0.0821(16) Uani d U 1 . .
    C C1 0.0944(3) 0.7647(3) 0.2862(2) 0.058(2) Uani d . 1 . .
    H H1A 0.0553 0.7414 0.2674 0.069 Uiso calc R 1 . .
    H H1B 0.0873 0.8182 0.2882 0.069 Uiso calc R 1 . .
    C C2 0.1183(3) 0.7325(3) 0.3397(2) 0.0450(17) Uani d . 1 . .
    C C3 0.1327(2) 0.6574(3) 0.3452(2) 0.0401(16) Uani d . 1 . .
    C C4 0.1546(3) 0.6256(4) 0.3940(2) 0.0528(19) Uani d . 1 . .
    C C5 0.1614(3) 0.6712(4) 0.4359(3) 0.086(3) Uani d . 1 . .
    H H5A 0.1766 0.6510 0.4687 0.104 Uiso calc R 1 . .
    C C6 0.1458(4) 0.7455(5) 0.4294(3) 0.096(3) Uani d . 1 . .
    H H6A 0.1497 0.7751 0.4578 0.115 Uiso calc R 1 . .
    C C7 0.1247(3) 0.7769(4) 0.3818(3) 0.081(3) Uani d . 1 . .
    H H7A 0.1148 0.8277 0.3778 0.097 Uiso calc R 1 . .
    C C8 0.1956(4) 0.5174(4) 0.4437(3) 0.097(3) Uani d . 1 . .
    H H8A 0.2344 0.5410 0.4613 0.116 Uiso calc R 1 . .
    H H8B 0.2020 0.4650 0.4392 0.116 Uiso calc R 1 . .
    H H8C 0.1691 0.5230 0.4635 0.116 Uiso calc R 1 . .
    C C9 0.2160(3) 0.6916(3) 0.1497(2) 0.0539(19) Uani d . 1 . .
    H H9A 0.2561 0.6898 0.1763 0.065 Uiso calc R 1 . .
    H H9B 0.2161 0.7325 0.1267 0.065 Uiso calc R 1 . .
    C C10 0.2039(3) 0.6191(3) 0.1209(2) 0.0461(16) Uani d . 1 . .
    C C11 0.2020(3) 0.5538(3) 0.1484(2) 0.0394(16) Uani d . 1 . .
    C C12 0.1862(3) 0.4864(3) 0.1210(3) 0.0521(19) Uani d . 1 . .
    C C13 0.1748(3) 0.4839(4) 0.0698(3) 0.074(2) Uani d . 1 . .
    H H13 0.1656 0.4386 0.0522 0.089 Uiso calc R 1 . .
    C C14 0.1772(3) 0.5503(4) 0.0441(3) 0.078(2) Uani d . 1 . .
    H H14 0.1683 0.5491 0.0090 0.093 Uiso calc R 1 . .
    C C15 0.1922(3) 0.6167(4) 0.0694(2) 0.063(2) Uani d . 1 . .
    H H15 0.1945 0.6603 0.0517 0.076 Uiso calc R 1 . .
    C C16 0.1599(3) 0.3572(3) 0.1258(3) 0.096(3) Uani d . 1 . .
    H H16A 0.1178 0.3646 0.1047 0.115 Uiso calc R 1 . .
    H H16B 0.1621 0.3196 0.1510 0.115 Uiso calc R 1 . .
    H H16C 0.1831 0.3409 0.1050 0.115 Uiso calc R 1 . .
    C C17 0.1187(3) 0.7978(3) 0.2109(2) 0.061(2) Uani d . 1 . .
    H H17A 0.1163 0.8506 0.2187 0.073 Uiso calc R 1 . .
    H H17B 0.0786 0.7817 0.1881 0.073 Uiso calc R 1 . .
    C C18 0.1667(3) 0.7857(3) 0.1861(2) 0.061(2) Uani d . 1 . .
    H H18A 0.1568 0.8161 0.1554 0.073 Uiso calc R 1 . .
    H H18B 0.2067 0.8011 0.2093 0.073 Uiso calc R 1 . .
    C C19 0.2984(3) 0.5398(3) 0.3373(2) 0.0490(18) Uani d . 1 . .
    H H19A 0.3158 0.5425 0.3103 0.059 Uiso calc R 1 . .
    H H19B 0.3195 0.5002 0.3606 0.059 Uiso calc R 1 . .
    C C20 0.3091(2) 0.6136(3) 0.3658(2) 0.0413(15) Uani d . 1 . .
    C C21 0.2829(2) 0.6769(3) 0.3376(2) 0.0380(16) Uani d . 1 . .
    C C22 0.2886(3) 0.7463(3) 0.3641(3) 0.0466(18) Uani d . 1 . .
    C C23 0.3201(3) 0.7497(4) 0.4148(3) 0.060(2) Uani d . 1 . .
    H H23 0.3245 0.7956 0.4316 0.072 Uiso calc R 1 . .
    C C24 0.3457(3) 0.6865(4) 0.4416(2) 0.065(2) Uani d . 1 . .
    H H24 0.3672 0.6899 0.4765 0.078 Uiso calc R 1 . .
    C C25 0.3399(3) 0.6176(4) 0.4174(2) 0.0568(18) Uani d . 1 . .
    H H25 0.3567 0.5746 0.4358 0.068 Uiso calc R 1 . .
    C C26 0.2557(3) 0.8738(3) 0.3561(3) 0.077(2) Uani d . 1 . .
    H H26A 0.2320 0.8664 0.3779 0.093 Uiso calc R 1 . .
    H H26B 0.2356 0.9100 0.3302 0.093 Uiso calc R 1 . .
    H H26C 0.2959 0.8916 0.3759 0.093 Uiso calc R 1 . .
    C C27 0.0610(3) 0.4577(3) 0.2118(2) 0.0526(19) Uani d . 1 . .
    H H27A 0.0409 0.4821 0.2329 0.063 Uiso calc R 1 . .
    H H27B 0.0531 0.4042 0.2119 0.063 Uiso calc R 1 . .
    C C28 0.0347(3) 0.4866(3) 0.1587(2) 0.0488(18) Uani d . 1 . .
    C C29 0.0441(3) 0.5622(3) 0.1489(2) 0.0440(17) Uani d . 1 . .
    C C30 0.0215(3) 0.5873(4) 0.0990(3) 0.0560(19) Uani d . 1 . .
    C C31 -0.0122(3) 0.5411(4) 0.0600(3) 0.079(2) Uani d . 1 . .
    H H31 -0.0285 0.5596 0.0269 0.095 Uiso calc R 1 . .
    C C32 -0.0218(3) 0.4682(4) 0.0699(3) 0.085(3) Uani d . 1 . .
    H H32 -0.0442 0.4368 0.0434 0.101 Uiso calc R 1 . .
    C C33 0.0012(3) 0.4411(4) 0.1184(3) 0.070(2) Uani d . 1 . .
    H H33 -0.0056 0.3911 0.1246 0.084 Uiso calc R 1 . .
    C C34 0.0238(4) 0.6878(4) 0.0433(3) 0.120(3) Uani d U 1 . .
    H H34A 0.0489 0.6612 0.0279 0.144 Uiso calc R 1 . .
    H H34B 0.0330 0.7405 0.0443 0.144 Uiso calc R 1 . .
    H H34C -0.0188 0.6799 0.0236 0.144 Uiso calc R 1 . .
    C C35 0.2231(3) 0.4417(3) 0.3004(3) 0.058(2) Uani d . 1 . .
    H H35A 0.2426 0.4102 0.3300 0.070 Uiso calc R 1 . .
    H H35B 0.2415 0.4304 0.2748 0.070 Uiso calc R 1 . .
    C C36 0.1564(3) 0.4249(3) 0.2796(2) 0.059(2) Uani d . 1 . .
    H H36A 0.1501 0.3720 0.2710 0.071 Uiso calc R 1 . .
    H H36B 0.1377 0.4360 0.3051 0.071 Uiso calc R 1 . .
    C C37 0.3420(3) 0.3478(3) 0.1820(2) 0.0463(17) Uani d . 1 . .
    H H37A 0.3009 0.3689 0.1686 0.056 Uiso calc R 1 . .
    H H37B 0.3422 0.3093 0.2066 0.056 Uiso calc R 1 . .
    C C38 0.3586(3) 0.3139(3) 0.1394(2) 0.0407(16) Uani d . 1 . .
    C C39 0.4157(3) 0.2797(3) 0.1505(2) 0.0389(16) Uani d . 1 . .
    C C40 0.4333(3) 0.2520(3) 0.1105(2) 0.0413(16) Uani d . 1 . .
    C C41 0.3943(3) 0.2575(3) 0.0615(2) 0.059(2) Uani d . 1 . .
    H H41 0.4062 0.2390 0.0351 0.071 Uiso calc R 1 . .
    C C42 0.3377(3) 0.2898(3) 0.0505(2) 0.063(2) Uani d . 1 . .
    H H42 0.3113 0.2926 0.0168 0.076 Uiso calc R 1 . .
    C C43 0.3196(3) 0.3180(3) 0.0887(3) 0.061(2) Uani d . 1 . .
    H H43 0.2811 0.3401 0.0807 0.073 Uiso calc R 1 . .
    C C44 0.5176(3) 0.2072(3) 0.0873(3) 0.079(3) Uani d . 1 . .
    H H44A 0.4954 0.1677 0.0653 0.094 Uiso calc R 1 . .
    H H44B 0.5598 0.1925 0.1033 0.094 Uiso calc R 1 . .
    H H44C 0.5156 0.2521 0.0677 0.094 Uiso calc R 1 . .
    C C45 0.5211(3) 0.5360(3) 0.3182(2) 0.0449(17) Uani d . 1 . .
    H H45A 0.5388 0.5503 0.2926 0.054 Uiso calc R 1 . .
    H H45B 0.5050 0.5808 0.3288 0.054 Uiso calc R 1 . .
    C C46 0.5692(3) 0.5020(3) 0.3627(2) 0.0408(16) Uani d . 1 . .
    C C47 0.5971(3) 0.4353(3) 0.3557(2) 0.0355(15) Uani d . 1 . .
    C C48 0.6372(3) 0.3987(3) 0.3986(2) 0.0422(16) Uani d . 1 . .
    C C49 0.6514(3) 0.4294(3) 0.4468(2) 0.0508(18) Uani d . 1 . .
    H H49 0.6792 0.4054 0.4750 0.061 Uiso calc R 1 . .
    C C50 0.6241(3) 0.4955(3) 0.4527(2) 0.061(2) Uani d . 1 . .
    H H50 0.6328 0.5159 0.4851 0.074 Uiso calc R 1 . .
    C C51 0.5844(3) 0.5318(3) 0.4112(3) 0.060(2) Uani d . 1 . .
    H H51 0.5673 0.5774 0.4158 0.072 Uiso calc R 1 . .
    C C52 0.6897(3) 0.2828(3) 0.4301(2) 0.067(2) Uani d . 1 . .
    H H52A 0.7265 0.3062 0.4524 0.080 Uiso calc R 1 . .
    H H52B 0.7000 0.2365 0.4173 0.080 Uiso calc R 1 . .
    H H52C 0.6624 0.2729 0.4486 0.080 Uiso calc R 1 . .
    C C53 0.3661(2) 0.4565(3) 0.2399(2) 0.0394(16) Uani d . 1 . .
    H H53A 0.3593 0.4274 0.2669 0.047 Uiso calc R 1 . .
    H H53B 0.3276 0.4803 0.2201 0.047 Uiso calc R 1 . .
    C C54 0.4139(3) 0.5153(3) 0.2627(2) 0.0451(17) Uani d . 1 . .
    H H54A 0.4219 0.5428 0.2356 0.054 Uiso calc R 1 . .
    H H54B 0.3988 0.5506 0.2821 0.054 Uiso calc R 1 . .
    C C55 0.6030(3) 0.3813(3) 0.1861(2) 0.0442(16) Uani d . 1 . .
    H H55A 0.6349 0.3615 0.1745 0.053 Uiso calc R 1 . .
    H H55B 0.6210 0.4203 0.2111 0.053 Uiso calc R 1 . .
    C C56 0.5527(3) 0.4139(3) 0.1420(2) 0.0392(16) Uani d . 1 . .
    C C57 0.5036(3) 0.4483(3) 0.1514(2) 0.0358(15) Uani d . 1 . .
    C C58 0.4536(3) 0.4757(3) 0.1106(2) 0.0399(16) Uani d . 1 . .
    C C59 0.4539(3) 0.4685(3) 0.0620(2) 0.0492(18) Uani d . 1 . .
    H H59 0.4208 0.4866 0.0349 0.059 Uiso calc R 1 . .
    C C60 0.5028(3) 0.4346(3) 0.0524(2) 0.0539(19) Uani d . 1 . .
    H H60 0.5029 0.4307 0.0192 0.065 Uiso calc R 1 . .
    C C61 0.5509(3) 0.4070(3) 0.0923(2) 0.0480(18) Uani d . 1 . .
    H H61 0.5831 0.3830 0.0857 0.058 Uiso calc R 1 . .
    C C62 0.3505(3) 0.5210(3) 0.0847(2) 0.065(2) Uani d . 1 . .
    H H62A 0.3561 0.5585 0.0619 0.078 Uiso calc R 1 . .
    H H62B 0.3209 0.5383 0.0992 0.078 Uiso calc R 1 . .
    H H62C 0.3361 0.4753 0.0661 0.078 Uiso calc R 1 . .
    C C63 0.5295(3) 0.1895(3) 0.3152(2) 0.0421(17) Uani d . 1 . .
    H H63A 0.5534 0.1436 0.3245 0.050 Uiso calc R 1 . .
    H H63B 0.4910 0.1778 0.2884 0.050 Uiso calc R 1 . .
    C C64 0.5171(3) 0.2207(3) 0.3612(2) 0.0356(15) Uani d . 1 . .
    C C65 0.4866(3) 0.2892(3) 0.3557(2) 0.0335(15) Uani d . 1 . .
    C C66 0.4808(3) 0.3226(3) 0.3996(2) 0.0405(16) Uani d . 1 . .
    C C67 0.5025(3) 0.2867(3) 0.4458(2) 0.0538(19) Uani d . 1 . .
    H H67 0.4982 0.3088 0.4746 0.065 Uiso calc R 1 . .
    C C68 0.5306(3) 0.2181(3) 0.4496(2) 0.0571(19) Uani d . 1 . .
    H H68 0.5445 0.1936 0.4809 0.069 Uiso calc R 1 . .
    C C69 0.5385(3) 0.1852(3) 0.4081(2) 0.0505(18) Uani d . 1 . .
    H H69 0.5582 0.1390 0.4113 0.061 Uiso calc R 1 . .
    C C70 0.4556(3) 0.4337(3) 0.4358(2) 0.080(2) Uani d . 1 . .
    H H70A 0.4320 0.4085 0.4533 0.095 Uiso calc R 1 . .
    H H70B 0.4389 0.4830 0.4258 0.095 Uiso calc R 1 . .
    H H70C 0.4976 0.4379 0.4581 0.095 Uiso calc R 1 . .
    C C71 0.6273(2) 0.2727(3) 0.2448(2) 0.0390(16) Uani d . 1 . .
    H H71A 0.6541 0.3025 0.2727 0.047 Uiso calc R 1 . .
    H H71B 0.6520 0.2507 0.2264 0.047 Uiso calc R 1 . .
    C C72 0.5968(3) 0.2112(3) 0.2653(2) 0.0414(16) Uani d . 1 . .
    H H72A 0.5682 0.1835 0.2372 0.050 Uiso calc R 1 . .
    H H72B 0.6277 0.1765 0.2859 0.050 Uiso calc R 1 . .
    C C73 0.8753(3) 0.5257(3) 0.1758(2) 0.0549(19) Uani d . 1 . .
    H H73A 0.8709 0.4805 0.1937 0.066 Uiso calc R 1 . .
    H H73B 0.9085 0.5177 0.1627 0.066 Uiso calc R 1 . .
    C C74 0.8174(3) 0.5400(3) 0.1327(2) 0.0486(18) Uani d . 1 . .
    C C75 0.7641(3) 0.5525(3) 0.1445(2) 0.0417(16) Uani d . 1 . .
    C C76 0.7095(3) 0.5691(3) 0.1056(3) 0.0528(18) Uani d . 1 . .
    C C77 0.7074(3) 0.5724(3) 0.0558(3) 0.068(2) Uani d . 1 . .
    H H77 0.6707 0.5831 0.0297 0.082 Uiso calc R 1 . .
    C C78 0.7598(4) 0.5597(4) 0.0450(3) 0.085(3) Uani d . 1 . .
    H H78 0.7583 0.5624 0.0113 0.102 Uiso calc R 1 . .
    C C79 0.8143(4) 0.5433(4) 0.0823(3) 0.074(2) Uani d . 1 . .
    H H79 0.8492 0.5343 0.0739 0.088 Uiso calc R 1 . .
    C C80 0.6039(3) 0.6046(4) 0.0857(3) 0.086(2) Uani d . 1 . .
    H H80A 0.6090 0.6521 0.0714 0.104 Uiso calc R 1 . .
    H H80B 0.5740 0.6095 0.1023 0.104 Uiso calc R 1 . .
    H H80C 0.5901 0.5678 0.0590 0.104 Uiso calc R 1 . .
    C C81 0.9398(3) 0.7041(3) 0.3527(2) 0.0535(18) Uani d . 1 . .
    H H81A 0.9230 0.7510 0.3360 0.064 Uiso calc R 1 . .
    H H81B 0.9838 0.7104 0.3690 0.064 Uiso calc R 1 . .
    C C82 0.9121(3) 0.6871(3) 0.3924(2) 0.0524(18) Uani d . 1 . .
    C C83 0.8496(3) 0.6736(3) 0.3765(2) 0.0447(17) Uani d . 1 . .
    C C84 0.8232(3) 0.6539(3) 0.4134(3) 0.056(2) Uani d . 1 . .
    C C85 0.8592(4) 0.6498(3) 0.4642(3) 0.079(3) Uani d . 1 . .
    H H85 0.8419 0.6381 0.4888 0.095 Uiso calc R 1 . .
    C C86 0.9214(4) 0.6631(4) 0.4781(3) 0.096(3) Uani d . 1 . .
    H H86 0.9458 0.6593 0.5123 0.115 Uiso calc R 1 . .
    C C87 0.9482(4) 0.6815(4) 0.4438(3) 0.076(2) Uani d . 1 . .
    H H87 0.9903 0.6904 0.4543 0.091 Uiso calc R 1 . .
    C C88 0.7324(4) 0.6150(4) 0.4279(3) 0.104(3) Uani d U 1 . .
    H H88A 0.7516 0.5692 0.4437 0.124 Uiso calc R 1 . .
    H H88B 0.6898 0.6057 0.4089 0.124 Uiso calc R 1 . .
    H H88C 0.7357 0.6520 0.4538 0.124 Uiso calc R 1 . .
    C C89 0.9555(3) 0.5878(3) 0.2461(2) 0.0551(19) Uani d . 1 . .
    H H89A 0.9643 0.5411 0.2651 0.066 Uiso calc R 1 . .
    H H89B 0.9827 0.5916 0.2264 0.066 Uiso calc R 1 . .
    C C90 0.9661(3) 0.6518(3) 0.2818(2) 0.0546(19) Uani d . 1 . .
    H H90A 1.0091 0.6534 0.3032 0.065 Uiso calc R 1 . .
    H H90B 0.9562 0.6983 0.2627 0.065 Uiso calc R 1 . .
    C C91 0.6980(3) 0.7497(3) 0.2072(2) 0.0501(18) Uani d . 1 . .
    H H91A 0.7204 0.7801 0.2365 0.060 Uiso calc R 1 . .
    H H91B 0.6553 0.7652 0.1957 0.060 Uiso calc R 1 . .
    C C92 0.7235(3) 0.7630(3) 0.1652(2) 0.0412(16) Uani d . 1 . .
    C C93 0.7848(3) 0.7444(3) 0.1746(2) 0.0394(16) Uani d . 1 . .
    C C94 0.8092(3) 0.7563(3) 0.1351(3) 0.0522(19) Uani d . 1 . .
    C C95 0.7734(4) 0.7853(3) 0.0897(3) 0.068(2) Uani d . 1 . .
    H H95 0.7898 0.7936 0.0641 0.082 Uiso calc R 1 . .
    C C96 0.7120(3) 0.8026(3) 0.0812(3) 0.072(2) Uani d . 1 . .
    H H96 0.6878 0.8226 0.0500 0.087 Uiso calc R 1 . .
    C C97 0.6873(3) 0.7906(3) 0.1183(2) 0.0575(19) Uani d . 1 . .
    H H97 0.6461 0.8010 0.1121 0.069 Uiso calc R 1 . .
    C C98 0.8971(4) 0.7423(4) 0.1105(3) 0.127(3) Uani d U 1 . .
    H H98A 0.8733 0.7139 0.0810 0.152 Uiso calc R 1 . .
    H H98B 0.9381 0.7225 0.1235 0.152 Uiso calc R 1 . .
    H H98C 0.8984 0.7939 0.1011 0.152 Uiso calc R 1 . .
    C C99 0.7429(3) 0.4710(3) 0.3095(2) 0.0507(18) Uani d . 1 . .
    H H99A 0.7094 0.4529 0.3198 0.061 Uiso calc R 1 . .
    H H99B 0.7431 0.4419 0.2801 0.061 Uiso calc R 1 . .
    C C100 0.8023(3) 0.4602(3) 0.3521(2) 0.0474(18) Uani d . 1 A .
    C C101 0.8562(3) 0.4807(3) 0.3435(2) 0.0420(17) Uani d . 1 . .
    C C102 0.9124(3) 0.4701(3) 0.3827(3) 0.0561(19) Uani d . 1 A .
    C C103 0.9148(4) 0.4384(3) 0.4285(3) 0.075(2) Uani d . 1 . .
    H H103 0.9524 0.4309 0.4543 0.090 Uiso calc R 1 A .
    C C104 0.8609(4) 0.4181(4) 0.4355(3) 0.083(3) Uani d . 1 A .
    H H104 0.8622 0.3965 0.4662 0.100 Uiso calc R 1 . .
    C C105 0.8059(3) 0.4295(3) 0.3980(3) 0.070(2) Uani d . 1 . .
    H H105 0.7700 0.4161 0.4036 0.084 Uiso calc R 1 A .
    C C06A 1.0194(6) 0.5001(6) 0.4130(5) 0.097(4) Uani d PU 0.62 A 1
    H H06A 1.0513 0.5156 0.4004 0.116 Uiso calc PR 0.62 A 1
    H H06B 1.0303 0.4528 0.4303 0.116 Uiso calc PR 0.62 A 1
    H H06C 1.0147 0.5372 0.4364 0.116 Uiso calc PR 0.62 A 1
    C C06B 1.0211(10) 0.4605(10) 0.3966(9) 0.097(3) Uani d PU 0.38 A 2
    H H06D 1.0508 0.4821 0.3837 0.116 Uiso calc PR 0.38 A 2
    H H06E 1.0193 0.4072 0.3911 0.116 Uiso calc PR 0.38 A 2
    H H06F 1.0329 0.4705 0.4326 0.116 Uiso calc PR 0.38 A 2
    C C107 0.6634(3) 0.6506(3) 0.2522(3) 0.0639(18) Uani d . 1 . .
    H H10D 0.6209 0.6633 0.2331 0.077 Uiso calc R 1 . .
    H H10E 0.6761 0.6788 0.2839 0.077 Uiso calc R 1 . .
    C C108 0.6690(3) 0.5680(3) 0.2634(3) 0.055(2) Uani d . 1 . .
    H H10F 0.6414 0.5535 0.2813 0.067 Uiso calc R 1 . .
    H H10G 0.6579 0.5398 0.2317 0.067 Uiso calc R 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ce1 O7 . 2.184(4) y
    Ce1 O1 . 2.192(3) y
    Ce1 O3 . 2.205(3) y
    Ce1 O5 . 2.207(4) y
    Ce1 N2 . 2.611(4) y
    Ce1 N3 . 2.612(4) y
    Ce1 N1 . 2.649(4) y
    Ce1 N4 . 2.656(4) y
    Ce2 O9 . 2.198(3) y
    Ce2 O11 . 2.200(4) y
    Ce2 O13 . 2.205(3) y
    Ce2 O15 . 2.211(3) y
    Ce2 N7 . 2.610(4) y
    Ce2 N5 . 2.617(4) y
    Ce2 N8 . 2.619(4) y
    Ce2 N6 . 2.624(4) y
    Ce3 O17 . 2.177(4) y
    Ce3 O19 . 2.189(4) y
    Ce3 O21 . 2.207(3) y
    Ce3 O23 . 2.215(3) y
    Ce3 N10 . 2.613(5) y
    Ce3 N11 . 2.616(4) y
    Ce3 N12 . 2.626(4) y
    Ce3 N9 . 2.636(4) y
    N1 C1 . 1.467(6) ?
    N1 C17 . 1.488(6) ?
    N1 H1 . 0.9100 ?
    N2 C9 . 1.477(6) ?
    N2 C18 . 1.477(6) ?
    N2 H2 . 0.9100 ?
    N3 C19 . 1.456(6) ?
    N3 C35 . 1.468(6) ?
    N3 H3 . 0.9100 ?
    N4 C36 . 1.470(7) ?
    N4 C27 . 1.472(7) ?
    N4 H4 . 0.9100 ?
    N5 C53 . 1.457(6) ?
    N5 C37 . 1.472(6) ?
    N5 H5 . 0.9100 ?
    N6 C54 . 1.454(6) ?
    N6 C45 . 1.486(6) ?
    N6 H6 . 0.9100 ?
    N7 C71 . 1.471(6) ?
    N7 C55 . 1.480(6) ?
    N7 H7 . 0.9100 ?
    N8 C63 . 1.471(5) ?
    N8 C72 . 1.483(5) ?
    N8 H8 . 0.9100 ?
    N9 C73 . 1.455(6) ?
    N9 C89 . 1.483(7) ?
    N9 H9 . 0.9100 ?
    N10 C81 . 1.471(6) ?
    N10 C90 . 1.473(6) ?
    N10 H10 . 0.9100 ?
    N11 C107 . 1.463(6) ?
    N11 C91 . 1.475(6) ?
    N11 H11 . 0.9100 ?
    N12 C108 . 1.464(7) ?
    N12 C99 . 1.493(6) ?
    N12 H12 . 0.9100 ?
    O1 C3 . 1.334(6) ?
    O2 C4 . 1.358(6) ?
    O2 C8 . 1.401(7) ?
    O3 C11 . 1.310(6) ?
    O4 C12 . 1.368(6) ?
    O4 C16 . 1.411(6) ?
    O5 C21 . 1.329(6) ?
    O6 C22 . 1.369(7) ?
    O6 C26 . 1.416(6) ?
    O7 C29 . 1.327(6) ?
    O8 C30 . 1.373(6) ?
    O8 C34 . 1.416(7) ?
    O9 C39 . 1.323(6) ?
    O10 C40 . 1.376(6) ?
    O10 C44 . 1.420(6) ?
    O11 C47 . 1.321(6) ?
    O12 C48 . 1.381(6) ?
    O12 C52 . 1.412(6) ?
    O13 C57 . 1.334(5) ?
    O14 C58 . 1.377(6) ?
    O14 C62 . 1.412(6) ?
    O15 C65 . 1.312(6) ?
    O16 C66 . 1.377(6) ?
    O16 C70 . 1.416(6) ?
    O17 C75 . 1.330(6) ?
    O18 C76 . 1.372(6) ?
    O18 C80 . 1.413(7) ?
    O19 C83 . 1.330(6) ?
    O20 C84 . 1.351(7) ?
    O20 C88 . 1.409(6) ?
    O21 C93 . 1.325(6) ?
    O22 C94 . 1.369(7) ?
    O22 C98 . 1.408(6) ?
    O23 C101 . 1.318(6) ?
    O24 C102 . 1.371(7) ?
    O24 C06B . 1.41(2) ?
    O24 C06A . 1.434(13) ?
    C1 C2 . 1.514(8) ?
    C1 H1A . 0.9700 ?
    C1 H1B . 0.9700 ?
    C2 C3 . 1.372(7) ?
    C2 C7 . 1.380(8) ?
    C3 C4 . 1.400(7) ?
    C4 C5 . 1.386(8) ?
    C5 C6 . 1.366(9) ?
    C5 H5A . 0.9300 ?
    C6 C7 . 1.367(10) ?
    C6 H6A . 0.9300 ?
    C7 H7A . 0.9300 ?
    C8 H8A . 0.9600 ?
    C8 H8B . 0.9600 ?
    C8 H8C . 0.9600 ?
    C9 C10 . 1.495(7) ?
    C9 H9A . 0.9700 ?
    C9 H9B . 0.9700 ?
    C10 C15 . 1.369(7) ?
    C10 C11 . 1.401(7) ?
    C11 C12 . 1.402(7) ?
    C12 C13 . 1.359(8) ?
    C13 C14 . 1.392(8) ?
    C13 H13 . 0.9300 ?
    C14 C15 . 1.360(8) ?
    C14 H14 . 0.9300 ?
    C15 H15 . 0.9300 ?
    C16 H16A . 0.9600 ?
    C16 H16B . 0.9600 ?
    C16 H16C . 0.9600 ?
    C17 C18 . 1.514(7) ?
    C17 H17A . 0.9700 ?
    C17 H17B . 0.9700 ?
    C18 H18A . 0.9700 ?
    C18 H18B . 0.9700 ?
    C19 C20 . 1.511(7) ?
    C19 H19A . 0.9700 ?
    C19 H19B . 0.9700 ?
    C20 C25 . 1.371(7) ?
    C20 C21 . 1.388(7) ?
    C21 C22 . 1.422(7) ?
    C22 C23 . 1.350(8) ?
    C23 C24 . 1.368(8) ?
    C23 H23 . 0.9300 ?
    C24 C25 . 1.386(7) ?
    C24 H24 . 0.9300 ?
    C25 H25 . 0.9300 ?
    C26 H26A . 0.9600 ?
    C26 H26B . 0.9600 ?
    C26 H26C . 0.9600 ?
    C27 C28 . 1.486(8) ?
    C27 H27A . 0.9700 ?
    C27 H27B . 0.9700 ?
    C28 C33 . 1.388(8) ?
    C28 C29 . 1.404(7) ?
    C29 C30 . 1.384(8) ?
    C30 C31 . 1.372(8) ?
    C31 C32 . 1.361(8) ?
    C31 H31 . 0.9300 ?
    C32 C33 . 1.360(9) ?
    C32 H32 . 0.9300 ?
    C33 H33 . 0.9300 ?
    C34 H34A . 0.9600 ?
    C34 H34B . 0.9600 ?
    C34 H34C . 0.9600 ?
    C35 C36 . 1.482(8) ?
    C35 H35A . 0.9700 ?
    C35 H35B . 0.9700 ?
    C36 H36A . 0.9700 ?
    C36 H36B . 0.9700 ?
    C37 C38 . 1.496(7) ?
    C37 H37A . 0.9700 ?
    C37 H37B . 0.9700 ?
    C38 C39 . 1.391(7) ?
    C38 C43 . 1.394(8) ?
    C39 C40 . 1.402(7) ?
    C40 C41 . 1.358(8) ?
    C41 C42 . 1.366(8) ?
    C41 H41 . 0.9300 ?
    C42 C43 . 1.366(7) ?
    C42 H42 . 0.9300 ?
    C43 H43 . 0.9300 ?
    C44 H44A . 0.9600 ?
    C44 H44B . 0.9600 ?
    C44 H44C . 0.9600 ?
    C45 C46 . 1.482(7) ?
    C45 H45A . 0.9700 ?
    C45 H45B . 0.9700 ?
    C46 C51 . 1.381(7) ?
    C46 C47 . 1.398(7) ?
    C47 C48 . 1.397(7) ?
    C48 C49 . 1.383(7) ?
    C49 C50 . 1.373(7) ?
    C49 H49 . 0.9300 ?
    C50 C51 . 1.368(8) ?
    C50 H50 . 0.9300 ?
    C51 H51 . 0.9300 ?
    C52 H52A . 0.9600 ?
    C52 H52B . 0.9600 ?
    C52 H52C . 0.9600 ?
    C53 C54 . 1.497(7) ?
    C53 H53A . 0.9700 ?
    C53 H53B . 0.9700 ?
    C54 H54A . 0.9700 ?
    C54 H54B . 0.9700 ?
    C55 C56 . 1.490(7) ?
    C55 H55A . 0.9700 ?
    C55 H55B . 0.9700 ?
    C56 C61 . 1.379(7) ?
    C56 C57 . 1.395(7) ?
    C57 C58 . 1.402(7) ?
    C58 C59 . 1.363(7) ?
    C59 C60 . 1.389(7) ?
    C59 H59 . 0.9300 ?
    C60 C61 . 1.366(8) ?
    C60 H60 . 0.9300 ?
    C61 H61 . 0.9300 ?
    C62 H62A . 0.9600 ?
    C62 H62B . 0.9600 ?
    C62 H62C . 0.9600 ?
    C63 C64 . 1.513(6) ?
    C63 H63A . 0.9700 ?
    C63 H63B . 0.9700 ?
    C64 C69 . 1.380(7) ?
    C64 C65 . 1.392(7) ?
    C65 C66 . 1.409(7) ?
    C66 C67 . 1.369(7) ?
    C67 C68 . 1.370(7) ?
    C67 H67 . 0.9300 ?
    C68 C69 . 1.364(7) ?
    C68 H68 . 0.9300 ?
    C69 H69 . 0.9300 ?
    C70 H70A . 0.9600 ?
    C70 H70B . 0.9600 ?
    C70 H70C . 0.9600 ?
    C71 C72 . 1.518(6) ?
    C71 H71A . 0.9700 ?
    C71 H71B . 0.9700 ?
    C72 H72A . 0.9700 ?
    C72 H72B . 0.9700 ?
    C73 C74 . 1.484(8) ?
    C73 H73A . 0.9700 ?
    C73 H73B . 0.9700 ?
    C74 C79 . 1.384(8) ?
    C74 C75 . 1.400(7) ?
    C75 C76 . 1.386(8) ?
    C76 C77 . 1.374(8) ?
    C77 C78 . 1.365(8) ?
    C77 H77 . 0.9300 ?
    C78 C79 . 1.362(9) ?
    C78 H78 . 0.9300 ?
    C79 H79 . 0.9300 ?
    C80 H80A . 0.9600 ?
    C80 H80B . 0.9600 ?
    C80 H80C . 0.9600 ?
    C81 C82 . 1.489(7) ?
    C81 H81A . 0.9700 ?
    C81 H81B . 0.9700 ?
    C82 C83 . 1.381(8) ?
    C82 C87 . 1.392(8) ?
    C83 C84 . 1.411(7) ?
    C84 C85 . 1.378(9) ?
    C85 C86 . 1.377(10) ?
    C85 H85 . 0.9300 ?
    C86 C87 . 1.348(8) ?
    C86 H86 . 0.9300 ?
    C87 H87 . 0.9300 ?
    C88 H88A . 0.9600 ?
    C88 H88B . 0.9600 ?
    C88 H88C . 0.9600 ?
    C89 C90 . 1.475(7) ?
    C89 H89A . 0.9700 ?
    C89 H89B . 0.9700 ?
    C90 H90A . 0.9700 ?
    C90 H90B . 0.9700 ?
    C91 C92 . 1.501(7) ?
    C91 H91A . 0.9700 ?
    C91 H91B . 0.9700 ?
    C92 C97 . 1.377(8) ?
    C92 C93 . 1.392(7) ?
    C93 C94 . 1.414(7) ?
    C94 C95 . 1.355(8) ?
    C95 C96 . 1.392(9) ?
    C95 H95 . 0.9300 ?
    C96 C97 . 1.361(7) ?
    C96 H96 . 0.9300 ?
    C97 H97 . 0.9300 ?
    C98 H98A . 0.9600 ?
    C98 H98B . 0.9600 ?
    C98 H98C . 0.9600 ?
    C99 C100 . 1.489(8) ?
    C99 H99A . 0.9700 ?
    C99 H99B . 0.9700 ?
    C100 C105 . 1.369(7) ?
    C100 C101 . 1.400(7) ?
    C101 C102 . 1.395(8) ?
    C102 C103 . 1.380(8) ?
    C103 C104 . 1.377(9) ?
    C103 H103 . 0.9300 ?
    C104 C105 . 1.356(9) ?
    C104 H104 . 0.9300 ?
    C105 H105 . 0.9300 ?
    C06A H06A . 0.9600 ?
    C06A H06B . 0.9600 ?
    C06A H06C . 0.9600 ?
    C06B H06D . 0.9600 ?
    C06B H06E . 0.9600 ?
    C06B H06F . 0.9600 ?
    C107 C108 . 1.500(6) ?
    C107 H10D . 0.9700 ?
    C107 H10E . 0.9700 ?
    C108 H10F . 0.9700 ?
    C108 H10G . 0.9700 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O7 Ce1 O1 . . 90.12(13) ?
    O7 Ce1 O3 . . 95.26(13) ?
    O1 Ce1 O3 . . 152.33(13) ?
    O7 Ce1 O5 . . 152.14(13) ?
    O1 Ce1 O5 . . 97.07(13) ?
    O3 Ce1 O5 . . 90.74(14) ?
    O7 Ce1 N2 . . 74.09(14) ?
    O1 Ce1 N2 . . 135.21(13) ?
    O3 Ce1 N2 . . 72.09(13) ?
    O5 Ce1 N2 . . 82.02(14) ?
    O7 Ce1 N3 . . 135.11(13) ?
    O1 Ce1 N3 . . 74.26(13) ?
    O3 Ce1 N3 . . 82.95(13) ?
    O5 Ce1 N3 . . 72.61(13) ?
    N2 Ce1 N3 . . 144.02(14) ?
    O7 Ce1 N1 . . 85.03(14) ?
    O1 Ce1 N1 . . 71.49(13) ?
    O3 Ce1 N1 . . 135.96(13) ?
    O5 Ce1 N1 . . 72.00(14) ?
    N2 Ce1 N1 . . 65.68(13) ?
    N3 Ce1 N1 . . 126.26(14) ?
    O7 Ce1 N4 . . 71.10(14) ?
    O1 Ce1 N4 . . 82.83(13) ?
    O3 Ce1 N4 . . 73.41(13) ?
    O5 Ce1 N4 . . 136.41(14) ?
    N2 Ce1 N4 . . 127.55(14) ?
    N3 Ce1 N4 . . 65.42(14) ?
    N1 Ce1 N4 . . 144.83(13) ?
    O9 Ce2 O11 . . 148.12(12) ?
    O9 Ce2 O13 . . 100.10(13) ?
    O11 Ce2 O13 . . 91.16(13) ?
    O9 Ce2 O15 . . 93.04(13) ?
    O11 Ce2 O15 . . 92.82(13) ?
    O13 Ce2 O15 . . 148.00(12) ?
    O9 Ce2 N7 . . 74.30(13) ?
    O11 Ce2 N7 . . 80.58(13) ?
    O13 Ce2 N7 . . 73.62(12) ?
    O15 Ce2 N7 . . 138.32(12) ?
    O9 Ce2 N5 . . 73.04(13) ?
    O11 Ce2 N5 . . 138.82(12) ?
    O13 Ce2 N5 . . 73.42(13) ?
    O15 Ce2 N5 . . 82.92(13) ?
    N7 Ce2 N5 . . 127.81(13) ?
    O9 Ce2 N8 . . 79.04(13) ?
    O11 Ce2 N8 . . 73.19(13) ?
    O13 Ce2 N8 . . 139.35(12) ?
    O15 Ce2 N8 . . 71.67(12) ?
    N7 Ce2 N8 . . 67.01(12) ?
    N5 Ce2 N8 . . 140.90(12) ?
    O9 Ce2 N6 . . 138.54(13) ?
    O11 Ce2 N6 . . 72.76(13) ?
    O13 Ce2 N6 . . 78.85(13) ?
    O15 Ce2 N6 . . 72.12(12) ?
    N7 Ce2 N6 . . 140.96(13) ?
    N5 Ce2 N6 . . 66.94(13) ?
    N8 Ce2 N6 . . 128.06(13) ?
    O17 Ce3 O19 . . 151.35(13) ?
    O17 Ce3 O21 . . 96.39(14) ?
    O19 Ce3 O21 . . 91.00(13) ?
    O17 Ce3 O23 . . 88.69(13) ?
    O19 Ce3 O23 . . 98.41(13) ?
    O21 Ce3 O23 . . 150.38(12) ?
    O17 Ce3 N10 . . 136.33(13) ?
    O19 Ce3 N10 . . 71.93(13) ?
    O21 Ce3 N10 . . 83.52(14) ?
    O23 Ce3 N10 . . 73.02(13) ?
    O17 Ce3 N11 . . 73.53(13) ?
    O19 Ce3 N11 . . 82.39(14) ?
    O21 Ce3 N11 . . 72.87(13) ?
    O23 Ce3 N11 . . 136.06(12) ?
    N10 Ce3 N11 . . 144.67(13) ?
    O17 Ce3 N12 . . 82.96(14) ?
    O19 Ce3 N12 . . 72.89(13) ?
    O21 Ce3 N12 . . 136.68(13) ?
    O23 Ce3 N12 . . 72.86(13) ?
    N10 Ce3 N12 . . 125.76(14) ?
    N11 Ce3 N12 . . 65.42(13) ?
    O17 Ce3 N9 . . 72.05(14) ?
    O19 Ce3 N9 . . 136.34(14) ?
    O21 Ce3 N9 . . 72.57(13) ?
    O23 Ce3 N9 . . 81.44(13) ?
    N10 Ce3 N9 . . 66.30(14) ?
    N11 Ce3 N9 . . 127.18(14) ?
    N12 Ce3 N9 . . 144.39(13) ?
    C1 N1 C17 . . 110.4(4) ?
    C1 N1 Ce1 . . 117.9(3) ?
    C17 N1 Ce1 . . 112.7(3) ?
    C1 N1 H1 . . 104.8 ?
    C17 N1 H1 . . 104.8 ?
    Ce1 N1 H1 . . 104.8 ?
    C9 N2 C18 . . 111.1(4) ?
    C9 N2 Ce1 . . 116.2(3) ?
    C18 N2 Ce1 . . 114.4(3) ?
    C9 N2 H2 . . 104.5 ?
    C18 N2 H2 . . 104.5 ?
    Ce1 N2 H2 . . 104.5 ?
    C19 N3 C35 . . 112.6(4) ?
    C19 N3 Ce1 . . 115.9(3) ?
    C35 N3 Ce1 . . 113.1(3) ?
    C19 N3 H3 . . 104.6 ?
    C35 N3 H3 . . 104.6 ?
    Ce1 N3 H3 . . 104.6 ?
    C36 N4 C27 . . 111.6(4) ?
    C36 N4 Ce1 . . 113.4(3) ?
    C27 N4 Ce1 . . 117.7(3) ?
    C36 N4 H4 . . 104.1 ?
    C27 N4 H4 . . 104.1 ?
    Ce1 N4 H4 . . 104.1 ?
    C53 N5 C37 . . 114.1(4) ?
    C53 N5 Ce2 . . 111.3(3) ?
    C37 N5 Ce2 . . 116.1(3) ?
    C53 N5 H5 . . 104.7 ?
    C37 N5 H5 . . 104.7 ?
    Ce2 N5 H5 . . 104.7 ?
    C54 N6 C45 . . 113.7(4) ?
    C54 N6 Ce2 . . 111.2(3) ?
    C45 N6 Ce2 . . 115.1(3) ?
    C54 N6 H6 . . 105.3 ?
    C45 N6 H6 . . 105.3 ?
    Ce2 N6 H6 . . 105.3 ?
    C71 N7 C55 . . 113.6(4) ?
    C71 N7 Ce2 . . 111.6(3) ?
    C55 N7 Ce2 . . 114.9(3) ?
    C71 N7 H7 . . 105.2 ?
    C55 N7 H7 . . 105.2 ?
    Ce2 N7 H7 . . 105.2 ?
    C63 N8 C72 . . 112.2(4) ?
    C63 N8 Ce2 . . 115.2(3) ?
    C72 N8 Ce2 . . 111.9(3) ?
    C63 N8 H8 . . 105.6 ?
    C72 N8 H8 . . 105.6 ?
    Ce2 N8 H8 . . 105.6 ?
    C73 N9 C89 . . 113.1(4) ?
    C73 N9 Ce3 . . 115.9(3) ?
    C89 N9 Ce3 . . 112.3(3) ?
    C73 N9 H9 . . 104.7 ?
    C89 N9 H9 . . 104.7 ?
    Ce3 N9 H9 . . 104.7 ?
    C81 N10 C90 . . 112.3(4) ?
    C81 N10 Ce3 . . 117.9(3) ?
    C90 N10 Ce3 . . 111.9(3) ?
    C81 N10 H10 . . 104.4 ?
    C90 N10 H10 . . 104.4 ?
    Ce3 N10 H10 . . 104.4 ?
    C107 N11 C91 . . 113.4(4) ?
    C107 N11 Ce3 . . 113.3(3) ?
    C91 N11 Ce3 . . 116.3(3) ?
    C107 N11 H11 . . 104.1 ?
    C91 N11 H11 . . 104.1 ?
    Ce3 N11 H11 . . 104.1 ?
    C108 N12 C99 . . 112.6(4) ?
    C108 N12 Ce3 . . 113.2(3) ?
    C99 N12 Ce3 . . 116.1(3) ?
    C108 N12 H12 . . 104.5 ?
    C99 N12 H12 . . 104.5 ?
    Ce3 N12 H12 . . 104.5 ?
    C3 O1 Ce1 . . 133.4(3) ?
    C4 O2 C8 . . 118.6(5) ?
    C11 O3 Ce1 . . 132.9(4) ?
    C12 O4 C16 . . 119.0(6) ?
    C21 O5 Ce1 . . 131.2(3) ?
    C22 O6 C26 . . 117.3(5) ?
    C29 O7 Ce1 . . 136.9(3) ?
    C30 O8 C34 . . 117.1(6) ?
    C39 O9 Ce2 . . 130.0(3) ?
    C40 O10 C44 . . 118.0(5) ?
    C47 O11 Ce2 . . 132.6(3) ?
    C48 O12 C52 . . 118.6(4) ?
    C57 O13 Ce2 . . 129.8(3) ?
    C58 O14 C62 . . 117.5(5) ?
    C65 O15 Ce2 . . 135.3(3) ?
    C66 O16 C70 . . 117.0(5) ?
    C75 O17 Ce3 . . 132.2(3) ?
    C76 O18 C80 . . 119.0(5) ?
    C83 O19 Ce3 . . 131.9(3) ?
    C84 O20 C88 . . 118.9(6) ?
    C93 O21 Ce3 . . 130.8(3) ?
    C94 O22 C98 . . 117.6(6) ?
    C101 O23 Ce3 . . 130.3(3) ?
    C102 O24 C06B . . 120.5(10) ?
    C102 O24 C06A . . 116.7(7) ?
    C06B O24 C06A . . 34.6(9) ?
    N1 C1 C2 . . 111.9(5) ?
    N1 C1 H1A . . 109.2 ?
    C2 C1 H1A . . 109.2 ?
    N1 C1 H1B . . 109.2 ?
    C2 C1 H1B . . 109.2 ?
    H1A C1 H1B . . 107.9 ?
    C3 C2 C7 . . 120.9(6) ?
    C3 C2 C1 . . 118.1(5) ?
    C7 C2 C1 . . 121.0(6) ?
    O1 C3 C2 . . 121.8(5) ?
    O1 C3 C4 . . 118.6(5) ?
    C2 C3 C4 . . 119.6(6) ?
    O2 C4 C5 . . 125.5(6) ?
    O2 C4 C3 . . 115.7(5) ?
    C5 C4 C3 . . 118.8(7) ?
    C6 C5 C4 . . 120.4(7) ?
    C6 C5 H5A . . 119.8 ?
    C4 C5 H5A . . 119.8 ?
    C5 C6 C7 . . 121.0(7) ?
    C5 C6 H6A . . 119.5 ?
    C7 C6 H6A . . 119.5 ?
    C6 C7 C2 . . 119.3(7) ?
    C6 C7 H7A . . 120.4 ?
    C2 C7 H7A . . 120.4 ?
    O2 C8 H8A . . 109.5 ?
    O2 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    O2 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    N2 C9 C10 . . 110.5(4) ?
    N2 C9 H9A . . 109.5 ?
    C10 C9 H9A . . 109.5 ?
    N2 C9 H9B . . 109.5 ?
    C10 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 108.1 ?
    C15 C10 C11 . . 121.0(6) ?
    C15 C10 C9 . . 121.6(6) ?
    C11 C10 C9 . . 117.3(5) ?
    O3 C11 C10 . . 121.1(5) ?
    O3 C11 C12 . . 121.1(5) ?
    C10 C11 C12 . . 117.7(6) ?
    C13 C12 O4 . . 124.4(6) ?
    C13 C12 C11 . . 121.3(6) ?
    O4 C12 C11 . . 114.3(6) ?
    C12 C13 C14 . . 119.0(6) ?
    C12 C13 H13 . . 120.5 ?
    C14 C13 H13 . . 120.5 ?
    C15 C14 C13 . . 121.3(7) ?
    C15 C14 H14 . . 119.3 ?
    C13 C14 H14 . . 119.3 ?
    C14 C15 C10 . . 119.6(7) ?
    C14 C15 H15 . . 120.2 ?
    C10 C15 H15 . . 120.2 ?
    O4 C16 H16A . . 109.5 ?
    O4 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    O4 C16 H16C . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    N1 C17 C18 . . 107.5(5) ?
    N1 C17 H17A . . 110.2 ?
    C18 C17 H17A . . 110.2 ?
    N1 C17 H17B . . 110.2 ?
    C18 C17 H17B . . 110.2 ?
    H17A C17 H17B . . 108.5 ?
    N2 C18 C17 . . 109.8(4) ?
    N2 C18 H18A . . 109.7 ?
    C17 C18 H18A . . 109.7 ?
    N2 C18 H18B . . 109.7 ?
    C17 C18 H18B . . 109.7 ?
    H18A C18 H18B . . 108.2 ?
    N3 C19 C20 . . 112.4(4) ?
    N3 C19 H19A . . 109.1 ?
    C20 C19 H19A . . 109.1 ?
    N3 C19 H19B . . 109.1 ?
    C20 C19 H19B . . 109.1 ?
    H19A C19 H19B . . 107.9 ?
    C25 C20 C21 . . 121.4(6) ?
    C25 C20 C19 . . 121.9(6) ?
    C21 C20 C19 . . 116.7(5) ?
    O5 C21 C20 . . 121.0(5) ?
    O5 C21 C22 . . 121.1(5) ?
    C20 C21 C22 . . 117.9(6) ?
    C23 C22 O6 . . 127.0(6) ?
    C23 C22 C21 . . 120.1(6) ?
    O6 C22 C21 . . 112.8(6) ?
    C22 C23 C24 . . 120.9(6) ?
    C22 C23 H23 . . 119.6 ?
    C24 C23 H23 . . 119.6 ?
    C23 C24 C25 . . 120.6(7) ?
    C23 C24 H24 . . 119.7 ?
    C25 C24 H24 . . 119.7 ?
    C20 C25 C24 . . 119.1(6) ?
    C20 C25 H25 . . 120.5 ?
    C24 C25 H25 . . 120.5 ?
    O6 C26 H26A . . 109.5 ?
    O6 C26 H26B . . 109.5 ?
    H26A C26 H26B . . 109.5 ?
    O6 C26 H26C . . 109.5 ?
    H26A C26 H26C . . 109.5 ?
    H26B C26 H26C . . 109.5 ?
    N4 C27 C28 . . 111.8(5) ?
    N4 C27 H27A . . 109.3 ?
    C28 C27 H27A . . 109.3 ?
    N4 C27 H27B . . 109.3 ?
    C28 C27 H27B . . 109.3 ?
    H27A C27 H27B . . 107.9 ?
    C33 C28 C29 . . 118.9(6) ?
    C33 C28 C27 . . 121.9(6) ?
    C29 C28 C27 . . 119.2(6) ?
    O7 C29 C30 . . 120.9(6) ?
    O7 C29 C28 . . 120.6(6) ?
    C30 C29 C28 . . 118.4(6) ?
    C31 C30 O8 . . 125.5(7) ?
    C31 C30 C29 . . 121.1(7) ?
    O8 C30 C29 . . 113.4(6) ?
    C32 C31 C30 . . 120.0(7) ?
    C32 C31 H31 . . 120.0 ?
    C30 C31 H31 . . 120.0 ?
    C33 C32 C31 . . 120.3(7) ?
    C33 C32 H32 . . 119.8 ?
    C31 C32 H32 . . 119.8 ?
    C32 C33 C28 . . 121.1(7) ?
    C32 C33 H33 . . 119.5 ?
    C28 C33 H33 . . 119.5 ?
    O8 C34 H34A . . 109.5 ?
    O8 C34 H34B . . 109.5 ?
    H34A C34 H34B . . 109.5 ?
    O8 C34 H34C . . 109.5 ?
    H34A C34 H34C . . 109.5 ?
    H34B C34 H34C . . 109.5 ?
    N3 C35 C36 . . 110.5(5) ?
    N3 C35 H35A . . 109.5 ?
    C36 C35 H35A . . 109.5 ?
    N3 C35 H35B . . 109.5 ?
    C36 C35 H35B . . 109.5 ?
    H35A C35 H35B . . 108.1 ?
    N4 C36 C35 . . 109.0(5) ?
    N4 C36 H36A . . 109.9 ?
    C35 C36 H36A . . 109.9 ?
    N4 C36 H36B . . 109.9 ?
    C35 C36 H36B . . 109.9 ?
    H36A C36 H36B . . 108.3 ?
    N5 C37 C38 . . 109.8(4) ?
    N5 C37 H37A . . 109.7 ?
    C38 C37 H37A . . 109.7 ?
    N5 C37 H37B . . 109.7 ?
    C38 C37 H37B . . 109.7 ?
    H37A C37 H37B . . 108.2 ?
    C39 C38 C43 . . 119.0(6) ?
    C39 C38 C37 . . 118.9(6) ?
    C43 C38 C37 . . 122.0(6) ?
    O9 C39 C38 . . 120.5(5) ?
    O9 C39 C40 . . 120.2(5) ?
    C38 C39 C40 . . 119.4(6) ?
    C41 C40 O10 . . 125.2(5) ?
    C41 C40 C39 . . 120.1(6) ?
    O10 C40 C39 . . 114.8(5) ?
    C40 C41 C42 . . 120.7(6) ?
    C40 C41 H41 . . 119.6 ?
    C42 C41 H41 . . 119.6 ?
    C41 C42 C43 . . 120.5(7) ?
    C41 C42 H42 . . 119.8 ?
    C43 C42 H42 . . 119.8 ?
    C42 C43 C38 . . 120.4(6) ?
    C42 C43 H43 . . 119.8 ?
    C38 C43 H43 . . 119.8 ?
    O10 C44 H44A . . 109.5 ?
    O10 C44 H44B . . 109.5 ?
    H44A C44 H44B . . 109.5 ?
    O10 C44 H44C . . 109.5 ?
    H44A C44 H44C . . 109.5 ?
    H44B C44 H44C . . 109.5 ?
    C46 C45 N6 . . 109.8(4) ?
    C46 C45 H45A . . 109.7 ?
    N6 C45 H45A . . 109.7 ?
    C46 C45 H45B . . 109.7 ?
    N6 C45 H45B . . 109.7 ?
    H45A C45 H45B . . 108.2 ?
    C51 C46 C47 . . 119.2(6) ?
    C51 C46 C45 . . 122.0(5) ?
    C47 C46 C45 . . 118.7(5) ?
    O11 C47 C48 . . 119.7(5) ?
    O11 C47 C46 . . 121.5(5) ?
    C48 C47 C46 . . 118.7(5) ?
    O12 C48 C49 . . 123.9(6) ?
    O12 C48 C47 . . 115.2(5) ?
    C49 C48 C47 . . 120.9(5) ?
    C50 C49 C48 . . 119.3(6) ?
    C50 C49 H49 . . 120.3 ?
    C48 C49 H49 . . 120.3 ?
    C51 C50 C49 . . 120.5(6) ?
    C51 C50 H50 . . 119.7 ?
    C49 C50 H50 . . 119.7 ?
    C50 C51 C46 . . 121.2(6) ?
    C50 C51 H51 . . 119.4 ?
    C46 C51 H51 . . 119.4 ?
    O12 C52 H52A . . 109.5 ?
    O12 C52 H52B . . 109.5 ?
    H52A C52 H52B . . 109.5 ?
    O12 C52 H52C . . 109.5 ?
    H52A C52 H52C . . 109.5 ?
    H52B C52 H52C . . 109.5 ?
    N5 C53 C54 . . 109.7(4) ?
    N5 C53 H53A . . 109.7 ?
    C54 C53 H53A . . 109.7 ?
    N5 C53 H53B . . 109.7 ?
    C54 C53 H53B . . 109.7 ?
    H53A C53 H53B . . 108.2 ?
    N6 C54 C53 . . 110.6(4) ?
    N6 C54 H54A . . 109.5 ?
    C53 C54 H54A . . 109.5 ?
    N6 C54 H54B . . 109.5 ?
    C53 C54 H54B . . 109.5 ?
    H54A C54 H54B . . 108.1 ?
    N7 C55 C56 . . 110.5(4) ?
    N7 C55 H55A . . 109.5 ?
    C56 C55 H55A . . 109.5 ?
    N7 C55 H55B . . 109.5 ?
    C56 C55 H55B . . 109.5 ?
    H55A C55 H55B . . 108.1 ?
    C61 C56 C57 . . 118.9(6) ?
    C61 C56 C55 . . 122.7(5) ?
    C57 C56 C55 . . 118.3(5) ?
    O13 C57 C56 . . 120.4(5) ?
    O13 C57 C58 . . 119.5(5) ?
    C56 C57 C58 . . 120.0(5) ?
    C59 C58 O14 . . 125.5(6) ?
    C59 C58 C57 . . 119.3(6) ?
    O14 C58 C57 . . 115.2(5) ?
    C58 C59 C60 . . 121.1(6) ?
    C58 C59 H59 . . 119.5 ?
    C60 C59 H59 . . 119.5 ?
    C61 C60 C59 . . 119.4(6) ?
    C61 C60 H60 . . 120.3 ?
    C59 C60 H60 . . 120.3 ?
    C60 C61 C56 . . 121.4(6) ?
    C60 C61 H61 . . 119.3 ?
    C56 C61 H61 . . 119.3 ?
    O14 C62 H62A . . 109.5 ?
    O14 C62 H62B . . 109.5 ?
    H62A C62 H62B . . 109.5 ?
    O14 C62 H62C . . 109.5 ?
    H62A C62 H62C . . 109.5 ?
    H62B C62 H62C . . 109.5 ?
    N8 C63 C64 . . 109.1(4) ?
    N8 C63 H63A . . 109.9 ?
    C64 C63 H63A . . 109.9 ?
    N8 C63 H63B . . 109.9 ?
    C64 C63 H63B . . 109.9 ?
    H63A C63 H63B . . 108.3 ?
    C69 C64 C65 . . 120.6(5) ?
    C69 C64 C63 . . 121.6(5) ?
    C65 C64 C63 . . 117.7(5) ?
    O15 C65 C64 . . 122.2(5) ?
    O15 C65 C66 . . 119.8(5) ?
    C64 C65 C66 . . 118.0(5) ?
    C67 C66 O16 . . 124.7(5) ?
    C67 C66 C65 . . 120.4(5) ?
    O16 C66 C65 . . 114.9(5) ?
    C66 C67 C68 . . 120.0(6) ?
    C66 C67 H67 . . 120.0 ?
    C68 C67 H67 . . 120.0 ?
    C69 C68 C67 . . 121.1(6) ?
    C69 C68 H68 . . 119.5 ?
    C67 C68 H68 . . 119.5 ?
    C68 C69 C64 . . 119.8(6) ?
    C68 C69 H69 . . 120.1 ?
    C64 C69 H69 . . 120.1 ?
    O16 C70 H70A . . 109.5 ?
    O16 C70 H70B . . 109.5 ?
    H70A C70 H70B . . 109.5 ?
    O16 C70 H70C . . 109.5 ?
    H70A C70 H70C . . 109.5 ?
    H70B C70 H70C . . 109.5 ?
    N7 C71 C72 . . 108.4(4) ?
    N7 C71 H71A . . 110.0 ?
    C72 C71 H71A . . 110.0 ?
    N7 C71 H71B . . 110.0 ?
    C72 C71 H71B . . 110.0 ?
    H71A C71 H71B . . 108.4 ?
    N8 C72 C71 . . 109.3(4) ?
    N8 C72 H72A . . 109.8 ?
    C71 C72 H72A . . 109.8 ?
    N8 C72 H72B . . 109.8 ?
    C71 C72 H72B . . 109.8 ?
    H72A C72 H72B . . 108.3 ?
    N9 C73 C74 . . 111.1(5) ?
    N9 C73 H73A . . 109.4 ?
    C74 C73 H73A . . 109.4 ?
    N9 C73 H73B . . 109.4 ?
    C74 C73 H73B . . 109.4 ?
    H73A C73 H73B . . 108.0 ?
    C79 C74 C75 . . 119.3(7) ?
    C79 C74 C73 . . 123.2(6) ?
    C75 C74 C73 . . 117.5(5) ?
    O17 C75 C76 . . 119.8(6) ?
    O17 C75 C74 . . 120.8(6) ?
    C76 C75 C74 . . 119.4(6) ?
    O18 C76 C77 . . 125.3(7) ?
    O18 C76 C75 . . 114.3(6) ?
    C77 C76 C75 . . 120.4(6) ?
    C78 C77 C76 . . 119.3(7) ?
    C78 C77 H77 . . 120.3 ?
    C76 C77 H77 . . 120.3 ?
    C79 C78 C77 . . 121.9(7) ?
    C79 C78 H78 . . 119.1 ?
    C77 C78 H78 . . 119.1 ?
    C78 C79 C74 . . 119.7(7) ?
    C78 C79 H79 . . 120.2 ?
    C74 C79 H79 . . 120.2 ?
    O18 C80 H80A . . 109.5 ?
    O18 C80 H80B . . 109.5 ?
    H80A C80 H80B . . 109.5 ?
    O18 C80 H80C . . 109.5 ?
    H80A C80 H80C . . 109.5 ?
    H80B C80 H80C . . 109.5 ?
    N10 C81 C82 . . 112.0(5) ?
    N10 C81 H81A . . 109.2 ?
    C82 C81 H81A . . 109.2 ?
    N10 C81 H81B . . 109.2 ?
    C82 C81 H81B . . 109.2 ?
    H81A C81 H81B . . 107.9 ?
    C83 C82 C87 . . 120.8(6) ?
    C83 C82 C81 . . 117.9(6) ?
    C87 C82 C81 . . 121.3(6) ?
    O19 C83 C82 . . 121.5(6) ?
    O19 C83 C84 . . 119.9(6) ?
    C82 C83 C84 . . 118.6(7) ?
    O20 C84 C85 . . 125.0(6) ?
    O20 C84 C83 . . 114.9(6) ?
    C85 C84 C83 . . 120.1(7) ?
    C86 C85 C84 . . 119.0(7) ?
    C86 C85 H85 . . 120.5 ?
    C84 C85 H85 . . 120.5 ?
    C87 C86 C85 . . 122.4(8) ?
    C87 C86 H86 . . 118.8 ?
    C85 C86 H86 . . 118.8 ?
    C86 C87 C82 . . 119.1(8) ?
    C86 C87 H87 . . 120.4 ?
    C82 C87 H87 . . 120.4 ?
    O20 C88 H88A . . 109.5 ?
    O20 C88 H88B . . 109.5 ?
    H88A C88 H88B . . 109.5 ?
    O20 C88 H88C . . 109.5 ?
    H88A C88 H88C . . 109.5 ?
    H88B C88 H88C . . 109.5 ?
    C90 C89 N9 . . 109.3(5) ?
    C90 C89 H89A . . 109.8 ?
    N9 C89 H89A . . 109.8 ?
    C90 C89 H89B . . 109.8 ?
    N9 C89 H89B . . 109.8 ?
    H89A C89 H89B . . 108.3 ?
    N10 C90 C89 . . 110.3(4) ?
    N10 C90 H90A . . 109.6 ?
    C89 C90 H90A . . 109.6 ?
    N10 C90 H90B . . 109.6 ?
    C89 C90 H90B . . 109.6 ?
    H90A C90 H90B . . 108.1 ?
    N11 C91 C92 . . 111.9(4) ?
    N11 C91 H91A . . 109.2 ?
    C92 C91 H91A . . 109.2 ?
    N11 C91 H91B . . 109.2 ?
    C92 C91 H91B . . 109.2 ?
    H91A C91 H91B . . 107.9 ?
    C97 C92 C93 . . 120.9(6) ?
    C97 C92 C91 . . 121.4(6) ?
    C93 C92 C91 . . 117.7(6) ?
    O21 C93 C92 . . 121.1(5) ?
    O21 C93 C94 . . 120.8(5) ?
    C92 C93 C94 . . 118.1(6) ?
    C95 C94 O22 . . 126.2(6) ?
    C95 C94 C93 . . 120.3(6) ?
    O22 C94 C93 . . 113.5(6) ?
    C94 C95 C96 . . 120.3(6) ?
    C94 C95 H95 . . 119.9 ?
    C96 C95 H95 . . 119.9 ?
    C97 C96 C95 . . 120.5(7) ?
    C97 C96 H96 . . 119.8 ?
    C95 C96 H96 . . 119.8 ?
    C96 C97 C92 . . 119.9(7) ?
    C96 C97 H97 . . 120.0 ?
    C92 C97 H97 . . 120.0 ?
    O22 C98 H98A . . 109.5 ?
    O22 C98 H98B . . 109.5 ?
    H98A C98 H98B . . 109.5 ?
    O22 C98 H98C . . 109.5 ?
    H98A C98 H98C . . 109.5 ?
    H98B C98 H98C . . 109.5 ?
    C100 C99 N12 . . 110.9(4) ?
    C100 C99 H99A . . 109.5 ?
    N12 C99 H99A . . 109.5 ?
    C100 C99 H99B . . 109.5 ?
    N12 C99 H99B . . 109.5 ?
    H99A C99 H99B . . 108.1 ?
    C105 C100 C101 . . 119.5(7) ?
    C105 C100 C99 . . 122.7(6) ?
    C101 C100 C99 . . 117.7(5) ?
    O23 C101 C102 . . 119.9(6) ?
    O23 C101 C100 . . 121.4(6) ?
    C102 C101 C100 . . 118.6(6) ?
    O24 C102 C103 . . 124.8(7) ?
    O24 C102 C101 . . 114.6(6) ?
    C103 C102 C101 . . 120.6(7) ?
    C104 C103 C102 . . 119.3(7) ?
    C104 C103 H103 . . 120.3 ?
    C102 C103 H103 . . 120.3 ?
    C105 C104 C103 . . 120.6(7) ?
    C105 C104 H104 . . 119.7 ?
    C103 C104 H104 . . 119.7 ?
    C104 C105 C100 . . 121.3(7) ?
    C104 C105 H105 . . 119.3 ?
    C100 C105 H105 . . 119.3 ?
    O24 C06A H06A . . 109.5 ?
    O24 C06A H06B . . 109.5 ?
    H06A C06A H06B . . 109.5 ?
    O24 C06A H06C . . 109.5 ?
    H06A C06A H06C . . 109.5 ?
    H06B C06A H06C . . 109.5 ?
    O24 C06B H06D . . 109.5 ?
    O24 C06B H06E . . 109.5 ?
    H06D C06B H06E . . 109.5 ?
    O24 C06B H06F . . 109.5 ?
    H06D C06B H06F . . 109.5 ?
    H06E C06B H06F . . 109.5 ?
    N11 C107 C108 . . 108.8(4) ?
    N11 C107 H10D . . 109.9 ?
    C108 C107 H10D . . 109.9 ?
    N11 C107 H10E . . 109.9 ?
    C108 C107 H10E . . 109.9 ?
    H10D C107 H10E . . 108.3 ?
    N12 C108 C107 . . 108.3(5) ?
    N12 C108 H10F . . 110.0 ?
    C107 C108 H10F . . 110.0 ?
    N12 C108 H10G . . 110.0 ?
    C107 C108 H10G . . 110.0 ?
    H10F C108 H10G . . 108.4 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O7 Ce1 N1 C1 . . . . 74.9(4) ?
    O1 Ce1 N1 C1 . . . . -16.9(4) ?
    O3 Ce1 N1 C1 . . . . 167.3(4) ?
    O5 Ce1 N1 C1 . . . . -121.1(4) ?
    N2 Ce1 N1 C1 . . . . 149.7(5) ?
    N3 Ce1 N1 C1 . . . . -70.0(5) ?
    N4 Ce1 N1 C1 . . . . 28.4(5) ?
    O7 Ce1 N1 C17 . . . . -55.6(4) ?
    O1 Ce1 N1 C17 . . . . -147.4(4) ?
    O3 Ce1 N1 C17 . . . . 36.8(5) ?
    O5 Ce1 N1 C17 . . . . 108.4(4) ?
    N2 Ce1 N1 C17 . . . . 19.2(4) ?
    N3 Ce1 N1 C17 . . . . 159.5(4) ?
    N4 Ce1 N1 C17 . . . . -102.1(4) ?
    O7 Ce1 N2 C9 . . . . -123.1(4) ?
    O1 Ce1 N2 C9 . . . . 163.4(3) ?
    O3 Ce1 N2 C9 . . . . -22.0(4) ?
    O5 Ce1 N2 C9 . . . . 71.4(4) ?
    N3 Ce1 N2 C9 . . . . 26.3(5) ?
    N1 Ce1 N2 C9 . . . . 145.2(4) ?
    N4 Ce1 N2 C9 . . . . -73.2(4) ?
    O7 Ce1 N2 C18 . . . . 105.2(4) ?
    O1 Ce1 N2 C18 . . . . 31.7(5) ?
    O3 Ce1 N2 C18 . . . . -153.7(4) ?
    O5 Ce1 N2 C18 . . . . -60.3(4) ?
    N3 Ce1 N2 C18 . . . . -105.3(4) ?
    N1 Ce1 N2 C18 . . . . 13.5(4) ?
    N4 Ce1 N2 C18 . . . . 155.1(4) ?
    O7 Ce1 N3 C19 . . . . 165.2(3) ?
    O1 Ce1 N3 C19 . . . . -121.1(4) ?
    O3 Ce1 N3 C19 . . . . 74.8(4) ?
    O5 Ce1 N3 C19 . . . . -18.2(3) ?
    N2 Ce1 N3 C19 . . . . 29.0(5) ?
    N1 Ce1 N3 C19 . . . . -69.1(4) ?
    N4 Ce1 N3 C19 . . . . 149.7(4) ?
    O7 Ce1 N3 C35 . . . . 33.0(4) ?
    O1 Ce1 N3 C35 . . . . 106.7(4) ?
    O3 Ce1 N3 C35 . . . . -57.4(3) ?
    O5 Ce1 N3 C35 . . . . -150.4(4) ?
    N2 Ce1 N3 C35 . . . . -103.2(4) ?
    N1 Ce1 N3 C35 . . . . 158.7(3) ?
    N4 Ce1 N3 C35 . . . . 17.5(3) ?
    O7 Ce1 N4 C36 . . . . -154.6(4) ?
    O1 Ce1 N4 C36 . . . . -62.0(4) ?
    O3 Ce1 N4 C36 . . . . 103.7(4) ?
    O5 Ce1 N4 C36 . . . . 30.7(4) ?
    N2 Ce1 N4 C36 . . . . 154.4(3) ?
    N3 Ce1 N4 C36 . . . . 13.9(3) ?
    N1 Ce1 N4 C36 . . . . -104.7(4) ?
    O7 Ce1 N4 C27 . . . . -21.8(4) ?
    O1 Ce1 N4 C27 . . . . 70.8(4) ?
    O3 Ce1 N4 C27 . . . . -123.5(4) ?
    O5 Ce1 N4 C27 . . . . 163.6(4) ?
    N2 Ce1 N4 C27 . . . . -72.8(4) ?
    N3 Ce1 N4 C27 . . . . 146.8(4) ?
    N1 Ce1 N4 C27 . . . . 28.1(5) ?
    O9 Ce2 N5 C53 . . . . 151.8(3) ?
    O11 Ce2 N5 C53 . . . . -29.7(4) ?
    O13 Ce2 N5 C53 . . . . -101.8(3) ?
    O15 Ce2 N5 C53 . . . . 56.4(3) ?
    N7 Ce2 N5 C53 . . . . -154.7(3) ?
    N8 Ce2 N5 C53 . . . . 105.5(3) ?
    N6 Ce2 N5 C53 . . . . -17.1(3) ?
    O9 Ce2 N5 C37 . . . . 19.1(3) ?
    O11 Ce2 N5 C37 . . . . -162.5(3) ?
    O13 Ce2 N5 C37 . . . . 125.5(3) ?
    O15 Ce2 N5 C37 . . . . -76.3(3) ?
    N7 Ce2 N5 C37 . . . . 72.6(4) ?
    N8 Ce2 N5 C37 . . . . -27.2(4) ?
    N6 Ce2 N5 C37 . . . . -149.8(4) ?
    O9 Ce2 N6 C54 . . . . -31.1(4) ?
    O11 Ce2 N6 C54 . . . . 156.3(3) ?
    O13 Ce2 N6 C54 . . . . 61.6(3) ?
    O15 Ce2 N6 C54 . . . . -104.8(3) ?
    N7 Ce2 N6 C54 . . . . 107.2(4) ?
    N5 Ce2 N6 C54 . . . . -15.0(3) ?
    N8 Ce2 N6 C54 . . . . -152.5(3) ?
    O9 Ce2 N6 C45 . . . . -162.1(3) ?
    O11 Ce2 N6 C45 . . . . 25.3(3) ?
    O13 Ce2 N6 C45 . . . . -69.4(4) ?
    O15 Ce2 N6 C45 . . . . 124.2(4) ?
    N7 Ce2 N6 C45 . . . . -23.8(5) ?
    N5 Ce2 N6 C45 . . . . -146.0(4) ?
    N8 Ce2 N6 C45 . . . . 76.4(4) ?
    O9 Ce2 N7 C71 . . . . -103.9(3) ?
    O11 Ce2 N7 C71 . . . . 56.2(3) ?
    O13 Ce2 N7 C71 . . . . 150.2(4) ?
    O15 Ce2 N7 C71 . . . . -27.4(4) ?
    N5 Ce2 N7 C71 . . . . -157.0(3) ?
    N8 Ce2 N7 C71 . . . . -19.4(3) ?
    N6 Ce2 N7 C71 . . . . 103.3(4) ?
    O9 Ce2 N7 C55 . . . . 124.9(4) ?
    O11 Ce2 N7 C55 . . . . -74.9(4) ?
    O13 Ce2 N7 C55 . . . . 19.1(3) ?
    O15 Ce2 N7 C55 . . . . -158.6(3) ?
    N5 Ce2 N7 C55 . . . . 71.9(4) ?
    N8 Ce2 N7 C55 . . . . -150.6(4) ?
    N6 Ce2 N7 C55 . . . . -27.9(5) ?
    O9 Ce2 N8 C63 . . . . -66.0(3) ?
    O11 Ce2 N8 C63 . . . . 129.9(4) ?
    O13 Ce2 N8 C63 . . . . -158.8(3) ?
    O15 Ce2 N8 C63 . . . . 31.0(3) ?
    N7 Ce2 N8 C63 . . . . -143.4(4) ?
    N5 Ce2 N8 C63 . . . . -21.2(4) ?
    N6 Ce2 N8 C63 . . . . 78.9(4) ?
    O9 Ce2 N8 C72 . . . . 63.7(3) ?
    O11 Ce2 N8 C72 . . . . -100.5(3) ?
    O13 Ce2 N8 C72 . . . . -29.1(4) ?
    O15 Ce2 N8 C72 . . . . 160.6(4) ?
    N7 Ce2 N8 C72 . . . . -13.8(3) ?
    N5 Ce2 N8 C72 . . . . 108.5(3) ?
    N6 Ce2 N8 C72 . . . . -151.4(3) ?
    O17 Ce3 N9 C73 . . . . -20.3(4) ?
    O19 Ce3 N9 C73 . . . . 164.3(4) ?
    O21 Ce3 N9 C73 . . . . -123.3(4) ?
    O23 Ce3 N9 C73 . . . . 71.1(4) ?
    N10 Ce3 N9 C73 . . . . 146.2(4) ?
    N11 Ce3 N9 C73 . . . . -72.0(4) ?
    N12 Ce3 N9 C73 . . . . 27.3(5) ?
    O17 Ce3 N9 C89 . . . . -152.5(4) ?
    O19 Ce3 N9 C89 . . . . 32.2(4) ?
    O21 Ce3 N9 C89 . . . . 104.6(4) ?
    O23 Ce3 N9 C89 . . . . -61.1(3) ?
    N10 Ce3 N9 C89 . . . . 14.1(3) ?
    N11 Ce3 N9 C89 . . . . 155.8(3) ?
    N12 Ce3 N9 C89 . . . . -104.8(4) ?
    O17 Ce3 N10 C81 . . . . 168.6(3) ?
    O19 Ce3 N10 C81 . . . . -17.1(4) ?
    O21 Ce3 N10 C81 . . . . 76.1(4) ?
    O23 Ce3 N10 C81 . . . . -122.2(4) ?
    N11 Ce3 N10 C81 . . . . 28.4(5) ?
    N12 Ce3 N10 C81 . . . . -69.0(4) ?
    N9 Ce3 N10 C81 . . . . 149.9(4) ?
    O17 Ce3 N10 C90 . . . . 36.2(4) ?
    O19 Ce3 N10 C90 . . . . -149.4(4) ?
    O21 Ce3 N10 C90 . . . . -56.3(3) ?
    O23 Ce3 N10 C90 . . . . 105.4(3) ?
    N11 Ce3 N10 C90 . . . . -104.0(4) ?
    N12 Ce3 N10 C90 . . . . 158.6(3) ?
    N9 Ce3 N10 C90 . . . . 17.5(3) ?
    O17 Ce3 N11 C107 . . . . 106.3(4) ?
    O19 Ce3 N11 C107 . . . . -58.0(4) ?
    O21 Ce3 N11 C107 . . . . -151.4(4) ?
    O23 Ce3 N11 C107 . . . . 36.2(4) ?
    N10 Ce3 N11 C107 . . . . -101.2(4) ?
    N12 Ce3 N11 C107 . . . . 16.6(3) ?
    N9 Ce3 N11 C107 . . . . 157.4(3) ?
    O17 Ce3 N11 C91 . . . . -119.8(4) ?
    O19 Ce3 N11 C91 . . . . 75.9(3) ?
    O21 Ce3 N11 C91 . . . . -17.6(3) ?
    O23 Ce3 N11 C91 . . . . 170.1(3) ?
    N10 Ce3 N11 C91 . . . . 32.7(5) ?
    N12 Ce3 N11 C91 . . . . 150.5(4) ?
    N9 Ce3 N11 C91 . . . . -68.7(4) ?
    O17 Ce3 N12 C108 . . . . -58.4(4) ?
    O19 Ce3 N12 C108 . . . . 106.0(4) ?
    O21 Ce3 N12 C108 . . . . 33.5(4) ?
    O23 Ce3 N12 C108 . . . . -149.2(4) ?
    N10 Ce3 N12 C108 . . . . 157.6(3) ?
    N11 Ce3 N12 C108 . . . . 16.7(3) ?
    N9 Ce3 N12 C108 . . . . -103.5(4) ?
    O17 Ce3 N12 C99 . . . . 74.1(4) ?
    O19 Ce3 N12 C99 . . . . -121.5(4) ?
    O21 Ce3 N12 C99 . . . . 165.9(3) ?
    O23 Ce3 N12 C99 . . . . -16.7(4) ?
    N10 Ce3 N12 C99 . . . . -70.0(4) ?
    N11 Ce3 N12 C99 . . . . 149.1(4) ?
    N9 Ce3 N12 C99 . . . . 28.9(5) ?
    O7 Ce1 O1 C3 . . . . -128.4(5) ?
    O3 Ce1 O1 C3 . . . . 130.0(5) ?
    O5 Ce1 O1 C3 . . . . 24.7(5) ?
    N2 Ce1 O1 C3 . . . . -61.1(5) ?
    N3 Ce1 O1 C3 . . . . 94.3(5) ?
    N1 Ce1 O1 C3 . . . . -43.6(5) ?
    N4 Ce1 O1 C3 . . . . 160.7(5) ?
    O7 Ce1 O3 C11 . . . . 30.6(5) ?
    O1 Ce1 O3 C11 . . . . 131.0(5) ?
    O5 Ce1 O3 C11 . . . . -122.1(5) ?
    N2 Ce1 O3 C11 . . . . -40.8(5) ?
    N3 Ce1 O3 C11 . . . . 165.5(5) ?
    N1 Ce1 O3 C11 . . . . -57.7(5) ?
    N4 Ce1 O3 C11 . . . . 99.1(5) ?
    O7 Ce1 O5 C21 . . . . 131.0(4) ?
    O1 Ce1 O5 C21 . . . . 27.2(5) ?
    O3 Ce1 O5 C21 . . . . -126.2(4) ?
    N2 Ce1 O5 C21 . . . . 162.0(5) ?
    N3 Ce1 O5 C21 . . . . -43.8(4) ?
    N1 Ce1 O5 C21 . . . . 95.1(5) ?
    N4 Ce1 O5 C21 . . . . -59.8(5) ?
    O1 Ce1 O7 C29 . . . . -121.3(5) ?
    O3 Ce1 O7 C29 . . . . 31.5(5) ?
    O5 Ce1 O7 C29 . . . . 133.2(5) ?
    N2 Ce1 O7 C29 . . . . 101.2(5) ?
    N3 Ce1 O7 C29 . . . . -53.8(6) ?
    N1 Ce1 O7 C29 . . . . 167.3(5) ?
    N4 Ce1 O7 C29 . . . . -38.9(5) ?
    O11 Ce2 O9 C39 . . . . -134.4(4) ?
    O13 Ce2 O9 C39 . . . . -25.4(4) ?
    O15 Ce2 O9 C39 . . . . 125.3(4) ?
    N7 Ce2 O9 C39 . . . . -95.1(4) ?
    N5 Ce2 O9 C39 . . . . 43.6(4) ?
    N8 Ce2 O9 C39 . . . . -164.1(4) ?
    N6 Ce2 O9 C39 . . . . 59.1(5) ?
    O9 Ce2 O11 C47 . . . . -134.0(4) ?
    O13 Ce2 O11 C47 . . . . 114.6(4) ?
    O15 Ce2 O11 C47 . . . . -33.6(4) ?
    N7 Ce2 O11 C47 . . . . -172.2(5) ?
    N5 Ce2 O11 C47 . . . . 48.8(5) ?
    N8 Ce2 O11 C47 . . . . -103.5(4) ?
    N6 Ce2 O11 C47 . . . . 36.6(4) ?
    O9 Ce2 O13 C57 . . . . -27.3(5) ?
    O11 Ce2 O13 C57 . . . . 122.8(5) ?
    O15 Ce2 O13 C57 . . . . -140.0(4) ?
    N7 Ce2 O13 C57 . . . . 42.9(4) ?
    N5 Ce2 O13 C57 . . . . -96.0(5) ?
    N8 Ce2 O13 C57 . . . . 57.6(5) ?
    N6 Ce2 O13 C57 . . . . -165.1(5) ?
    O9 Ce2 O15 C65 . . . . 109.0(5) ?
    O11 Ce2 O15 C65 . . . . -39.7(5) ?
    O13 Ce2 O15 C65 . . . . -136.4(4) ?
    N7 Ce2 O15 C65 . . . . 39.3(6) ?
    N5 Ce2 O15 C65 . . . . -178.5(5) ?
    N8 Ce2 O15 C65 . . . . 31.6(5) ?
    N6 Ce2 O15 C65 . . . . -110.5(5) ?
    O19 Ce3 O17 C75 . . . . 130.9(5) ?
    O21 Ce3 O17 C75 . . . . 26.9(5) ?
    O23 Ce3 O17 C75 . . . . -123.8(5) ?
    N10 Ce3 O17 C75 . . . . -60.4(5) ?
    N11 Ce3 O17 C75 . . . . 96.9(5) ?
    N12 Ce3 O17 C75 . . . . 163.3(5) ?
    N9 Ce3 O17 C75 . . . . -42.4(5) ?
    O17 Ce3 O19 C83 . . . . 128.0(5) ?
    O21 Ce3 O19 C83 . . . . -126.6(5) ?
    O23 Ce3 O19 C83 . . . . 25.2(5) ?
    N10 Ce3 O19 C83 . . . . -43.8(5) ?
    N11 Ce3 O19 C83 . . . . 160.8(5) ?
    N12 Ce3 O19 C83 . . . . 94.2(5) ?
    N9 Ce3 O19 C83 . . . . -61.2(5) ?
    O17 Ce3 O21 C93 . . . . 26.6(4) ?
    O19 Ce3 O21 C93 . . . . -125.7(4) ?
    O23 Ce3 O21 C93 . . . . 125.2(4) ?
    N10 Ce3 O21 C93 . . . . 162.6(4) ?
    N11 Ce3 O21 C93 . . . . -44.0(4) ?
    N12 Ce3 O21 C93 . . . . -59.9(5) ?
    N9 Ce3 O21 C93 . . . . 95.5(4) ?
    O17 Ce3 O23 C101 . . . . -127.4(5) ?
    O19 Ce3 O23 C101 . . . . 24.7(5) ?
    O21 Ce3 O23 C101 . . . . 131.9(5) ?
    N10 Ce3 O23 C101 . . . . 92.8(5) ?
    N11 Ce3 O23 C101 . . . . -63.0(5) ?
    N12 Ce3 O23 C101 . . . . -44.4(5) ?
    N9 Ce3 O23 C101 . . . . 160.6(5) ?
    C17 N1 C1 C2 . . . . -168.7(5) ?
    Ce1 N1 C1 C2 . . . . 59.8(6) ?
    N1 C1 C2 C3 . . . . -57.2(7) ?
    N1 C1 C2 C7 . . . . 123.8(6) ?
    Ce1 O1 C3 C2 . . . . 62.1(7) ?
    Ce1 O1 C3 C4 . . . . -118.7(5) ?
    C7 C2 C3 O1 . . . . 178.6(5) ?
    C1 C2 C3 O1 . . . . -0.4(8) ?
    C7 C2 C3 C4 . . . . -0.6(8) ?
    C1 C2 C3 C4 . . . . -179.6(5) ?
    C8 O2 C4 C5 . . . . -4.6(9) ?
    C8 O2 C4 C3 . . . . 174.5(5) ?
    O1 C3 C4 O2 . . . . 1.6(8) ?
    C2 C3 C4 O2 . . . . -179.2(5) ?
    O1 C3 C4 C5 . . . . -179.3(5) ?
    C2 C3 C4 C5 . . . . 0.0(9) ?
    O2 C4 C5 C6 . . . . -179.9(6) ?
    C3 C4 C5 C6 . . . . 1.1(10) ?
    C4 C5 C6 C7 . . . . -1.5(11) ?
    C5 C6 C7 C2 . . . . 0.9(12) ?
    C3 C2 C7 C6 . . . . 0.2(10) ?
    C1 C2 C7 C6 . . . . 179.2(6) ?
    C18 N2 C9 C10 . . . . -160.8(5) ?
    Ce1 N2 C9 C10 . . . . 66.1(6) ?
    N2 C9 C10 C15 . . . . 117.9(6) ?
    N2 C9 C10 C11 . . . . -59.0(7) ?
    Ce1 O3 C11 C10 . . . . 62.2(7) ?
    Ce1 O3 C11 C12 . . . . -115.8(5) ?
    C15 C10 C11 O3 . . . . -179.7(6) ?
    C9 C10 C11 O3 . . . . -2.8(8) ?
    C15 C10 C11 C12 . . . . -1.6(8) ?
    C9 C10 C11 C12 . . . . 175.3(5) ?
    C16 O4 C12 C13 . . . . -11.0(9) ?
    C16 O4 C12 C11 . . . . 170.2(5) ?
    O3 C11 C12 C13 . . . . -180.0(6) ?
    C10 C11 C12 C13 . . . . 1.9(9) ?
    O3 C11 C12 O4 . . . . -1.1(8) ?
    C10 C11 C12 O4 . . . . -179.2(5) ?
    O4 C12 C13 C14 . . . . 179.2(6) ?
    C11 C12 C13 C14 . . . . -2.0(10) ?
    C12 C13 C14 C15 . . . . 1.8(11) ?
    C13 C14 C15 C10 . . . . -1.5(10) ?
    C11 C10 C15 C14 . . . . 1.4(9) ?
    C9 C10 C15 C14 . . . . -175.4(6) ?
    C1 N1 C17 C18 . . . . 177.2(5) ?
    Ce1 N1 C17 C18 . . . . -48.6(6) ?
    C9 N2 C18 C17 . . . . -178.6(5) ?
    Ce1 N2 C18 C17 . . . . -44.6(6) ?
    N1 C17 C18 N2 . . . . 61.7(7) ?
    C35 N3 C19 C20 . . . . -163.7(5) ?
    Ce1 N3 C19 C20 . . . . 63.9(5) ?
    N3 C19 C20 C25 . . . . 116.1(6) ?
    N3 C19 C20 C21 . . . . -60.1(6) ?
    Ce1 O5 C21 C20 . . . . 63.6(7) ?
    Ce1 O5 C21 C22 . . . . -114.5(5) ?
    C25 C20 C21 O5 . . . . -178.6(5) ?
    C19 C20 C21 O5 . . . . -2.3(7) ?
    C25 C20 C21 C22 . . . . -0.5(8) ?
    C19 C20 C21 C22 . . . . 175.8(4) ?
    C26 O6 C22 C23 . . . . -11.0(8) ?
    C26 O6 C22 C21 . . . . 170.6(4) ?
    O5 C21 C22 C23 . . . . 179.9(5) ?
    C20 C21 C22 C23 . . . . 1.8(8) ?
    O5 C21 C22 O6 . . . . -1.6(7) ?
    C20 C21 C22 O6 . . . . -179.8(4) ?
    O6 C22 C23 C24 . . . . -179.8(5) ?
    C21 C22 C23 C24 . . . . -1.6(9) ?
    C22 C23 C24 C25 . . . . 0.1(9) ?
    C21 C20 C25 C24 . . . . -1.0(8) ?
    C19 C20 C25 C24 . . . . -177.0(5) ?
    C23 C24 C25 C20 . . . . 1.2(9) ?
    C36 N4 C27 C28 . . . . -164.1(5) ?
    Ce1 N4 C27 C28 . . . . 62.3(5) ?
    N4 C27 C28 C33 . . . . 124.8(6) ?
    N4 C27 C28 C29 . . . . -55.0(7) ?
    Ce1 O7 C29 C30 . . . . -119.9(6) ?
    Ce1 O7 C29 C28 . . . . 58.9(7) ?
    C33 C28 C29 O7 . . . . 178.6(5) ?
    C27 C28 C29 O7 . . . . -1.6(8) ?
    C33 C28 C29 C30 . . . . -2.6(8) ?
    C27 C28 C29 C30 . . . . 177.2(5) ?
    C34 O8 C30 C31 . . . . -11.1(9) ?
    C34 O8 C30 C29 . . . . 169.7(6) ?
    O7 C29 C30 C31 . . . . -177.5(5) ?
    C28 C29 C30 C31 . . . . 3.7(9) ?
    O7 C29 C30 O8 . . . . 1.7(8) ?
    C28 C29 C30 O8 . . . . -177.1(5) ?
    O8 C30 C31 C32 . . . . 178.0(6) ?
    C29 C30 C31 C32 . . . . -2.8(10) ?
    C30 C31 C32 C33 . . . . 0.9(11) ?
    C31 C32 C33 C28 . . . . 0.1(11) ?
    C29 C28 C33 C32 . . . . 0.8(9) ?
    C27 C28 C33 C32 . . . . -179.1(6) ?
    C19 N3 C35 C36 . . . . 178.2(5) ?
    Ce1 N3 C35 C36 . . . . -48.1(6) ?
    C27 N4 C36 C35 . . . . -179.1(5) ?
    Ce1 N4 C36 C35 . . . . -43.4(6) ?
    N3 C35 C36 N4 . . . . 61.2(7) ?
    C53 N5 C37 C38 . . . . 164.9(5) ?
    Ce2 N5 C37 C38 . . . . -63.7(5) ?
    N5 C37 C38 C39 . . . . 60.1(7) ?
    N5 C37 C38 C43 . . . . -117.5(6) ?
    Ce2 O9 C39 C38 . . . . -64.4(6) ?
    Ce2 O9 C39 C40 . . . . 114.2(5) ?
    C43 C38 C39 O9 . . . . -179.8(5) ?
    C37 C38 C39 O9 . . . . 2.7(8) ?
    C43 C38 C39 C40 . . . . 1.7(8) ?
    C37 C38 C39 C40 . . . . -175.9(5) ?
    C44 O10 C40 C41 . . . . 13.2(8) ?
    C44 O10 C40 C39 . . . . -166.3(4) ?
    O9 C39 C40 C41 . . . . -179.8(5) ?
    C38 C39 C40 C41 . . . . -1.2(8) ?
    O9 C39 C40 O10 . . . . -0.3(7) ?
    C38 C39 C40 O10 . . . . 178.3(5) ?
    O10 C40 C41 C42 . . . . -179.4(5) ?
    C39 C40 C41 C42 . . . . 0.0(9) ?
    C40 C41 C42 C43 . . . . 0.8(10) ?
    C41 C42 C43 C38 . . . . -0.3(9) ?
    C39 C38 C43 C42 . . . . -0.9(9) ?
    C37 C38 C43 C42 . . . . 176.6(5) ?
    C54 N6 C45 C46 . . . . 162.5(4) ?
    Ce2 N6 C45 C46 . . . . -67.7(5) ?
    N6 C45 C46 C51 . . . . -118.5(6) ?
    N6 C45 C46 C47 . . . . 57.5(7) ?
    Ce2 O11 C47 C48 . . . . 117.4(5) ?
    Ce2 O11 C47 C46 . . . . -60.9(7) ?
    C51 C46 C47 O11 . . . . -178.4(5) ?
    C45 C46 C47 O11 . . . . 5.5(8) ?
    C51 C46 C47 C48 . . . . 3.3(8) ?
    C45 C46 C47 C48 . . . . -172.8(5) ?
    C52 O12 C48 C49 . . . . 14.1(8) ?
    C52 O12 C48 C47 . . . . -165.8(5) ?
    O11 C47 C48 O12 . . . . -1.4(7) ?
    C46 C47 C48 O12 . . . . 176.9(5) ?
    O11 C47 C48 C49 . . . . 178.7(5) ?
    C46 C47 C48 C49 . . . . -3.0(8) ?
    O12 C48 C49 C50 . . . . -177.8(5) ?
    C47 C48 C49 C50 . . . . 2.1(9) ?
    C48 C49 C50 C51 . . . . -1.5(9) ?
    C49 C50 C51 C46 . . . . 2.0(10) ?
    C47 C46 C51 C50 . . . . -2.9(9) ?
    C45 C46 C51 C50 . . . . 173.1(6) ?
    C37 N5 C53 C54 . . . . -179.0(5) ?
    Ce2 N5 C53 C54 . . . . 47.3(5) ?
    C45 N6 C54 C53 . . . . 177.4(4) ?
    Ce2 N6 C54 C53 . . . . 45.7(5) ?
    N5 C53 C54 N6 . . . . -64.0(6) ?
    C71 N7 C55 C56 . . . . 164.9(4) ?
    Ce2 N7 C55 C56 . . . . -65.0(5) ?
    N7 C55 C56 C61 . . . . -113.6(6) ?
    N7 C55 C56 C57 . . . . 62.0(6) ?
    Ce2 O13 C57 C56 . . . . -63.1(6) ?
    Ce2 O13 C57 C58 . . . . 114.7(5) ?
    C61 C56 C57 O13 . . . . 177.3(5) ?
    C55 C56 C57 O13 . . . . 1.5(8) ?
    C61 C56 C57 C58 . . . . -0.4(8) ?
    C55 C56 C57 C58 . . . . -176.2(5) ?
    C62 O14 C58 C59 . . . . 12.6(8) ?
    C62 O14 C58 C57 . . . . -166.6(5) ?
    O13 C57 C58 C59 . . . . -178.1(5) ?
    C56 C57 C58 C59 . . . . -0.3(8) ?
    O13 C57 C58 O14 . . . . 1.2(7) ?
    C56 C57 C58 O14 . . . . 178.9(5) ?
    O14 C58 C59 C60 . . . . -179.1(5) ?
    C57 C58 C59 C60 . . . . 0.0(8) ?
    C58 C59 C60 C61 . . . . 1.0(9) ?
    C59 C60 C61 C56 . . . . -1.8(9) ?
    C57 C56 C61 C60 . . . . 1.5(8) ?
    C55 C56 C61 C60 . . . . 177.1(5) ?
    C72 N8 C63 C64 . . . . 159.2(5) ?
    Ce2 N8 C63 C64 . . . . -71.3(5) ?
    N8 C63 C64 C69 . . . . -120.5(6) ?
    N8 C63 C64 C65 . . . . 55.6(7) ?
    Ce2 O15 C65 C64 . . . . -57.6(7) ?
    Ce2 O15 C65 C66 . . . . 122.6(5) ?
    C69 C64 C65 O15 . . . . -176.9(5) ?
    C63 C64 C65 O15 . . . . 7.0(8) ?
    C69 C64 C65 C66 . . . . 2.9(8) ?
    C63 C64 C65 C66 . . . . -173.3(5) ?
    C70 O16 C66 C67 . . . . 9.9(8) ?
    C70 O16 C66 C65 . . . . -169.3(5) ?
    O15 C65 C66 C67 . . . . 177.2(5) ?
    C64 C65 C66 C67 . . . . -2.6(9) ?
    O15 C65 C66 O16 . . . . -3.6(8) ?
    C64 C65 C66 O16 . . . . 176.7(5) ?
    O16 C66 C67 C68 . . . . -178.6(5) ?
    C65 C66 C67 C68 . . . . 0.6(9) ?
    C66 C67 C68 C69 . . . . 1.2(10) ?
    C67 C68 C69 C64 . . . . -1.0(10) ?
    C65 C64 C69 C68 . . . . -1.2(9) ?
    C63 C64 C69 C68 . . . . 174.8(5) ?
    C55 N7 C71 C72 . . . . -178.0(4) ?
    Ce2 N7 C71 C72 . . . . 50.2(5) ?
    C63 N8 C72 C71 . . . . 176.2(5) ?
    Ce2 N8 C72 C71 . . . . 44.9(5) ?
    N7 C71 C72 N8 . . . . -64.4(6) ?
    C89 N9 C73 C74 . . . . -163.1(5) ?
    Ce3 N9 C73 C74 . . . . 65.2(6) ?
    N9 C73 C74 C79 . . . . 119.0(6) ?
    N9 C73 C74 C75 . . . . -59.5(7) ?
    Ce3 O17 C75 C76 . . . . -116.5(5) ?
    Ce3 O17 C75 C74 . . . . 63.6(6) ?
    C79 C74 C75 O17 . . . . 178.7(5) ?
    C73 C74 C75 O17 . . . . -2.7(8) ?
    C79 C74 C75 C76 . . . . -1.1(8) ?
    C73 C74 C75 C76 . . . . 177.4(5) ?
    C80 O18 C76 C77 . . . . -4.5(8) ?
    C80 O18 C76 C75 . . . . 175.2(5) ?
    O17 C75 C76 O18 . . . . 1.3(8) ?
    C74 C75 C76 O18 . . . . -178.8(5) ?
    O17 C75 C76 C77 . . . . -179.0(5) ?
    C74 C75 C76 C77 . . . . 0.9(9) ?
    O18 C76 C77 C78 . . . . 179.1(6) ?
    C75 C76 C77 C78 . . . . -0.6(9) ?
    C76 C77 C78 C79 . . . . 0.5(11) ?
    C77 C78 C79 C74 . . . . -0.8(11) ?
    C75 C74 C79 C78 . . . . 1.1(10) ?
    C73 C74 C79 C78 . . . . -177.4(6) ?
    C90 N10 C81 C82 . . . . -167.0(5) ?
    Ce3 N10 C81 C82 . . . . 60.7(6) ?
    N10 C81 C82 C83 . . . . -56.7(7) ?
    N10 C81 C82 C87 . . . . 120.4(6) ?
    Ce3 O19 C83 C82 . . . . 63.9(7) ?
    Ce3 O19 C83 C84 . . . . -115.9(5) ?
    C87 C82 C83 O19 . . . . -179.8(5) ?
    C81 C82 C83 O19 . . . . -2.7(8) ?
    C87 C82 C83 C84 . . . . 0.0(9) ?
    C81 C82 C83 C84 . . . . 177.1(5) ?
    C88 O20 C84 C85 . . . . -6.8(9) ?
    C88 O20 C84 C83 . . . . 174.3(5) ?
    O19 C83 C84 O20 . . . . -0.1(8) ?
    C82 C83 C84 O20 . . . . -179.9(5) ?
    O19 C83 C84 C85 . . . . -179.1(5) ?
    C82 C83 C84 C85 . . . . 1.1(9) ?
    O20 C84 C85 C86 . . . . 179.4(6) ?
    C83 C84 C85 C86 . . . . -1.7(10) ?
    C84 C85 C86 C87 . . . . 1.3(11) ?
    C85 C86 C87 C82 . . . . -0.2(11) ?
    C83 C82 C87 C86 . . . . -0.4(10) ?
    C81 C82 C87 C86 . . . . -177.4(6) ?
    C73 N9 C89 C90 . . . . -178.0(5) ?
    Ce3 N9 C89 C90 . . . . -44.5(5) ?
    C81 N10 C90 C89 . . . . 176.2(5) ?
    Ce3 N10 C90 C89 . . . . -48.6(5) ?
    N9 C89 C90 N10 . . . . 62.9(6) ?
    C107 N11 C91 C92 . . . . -163.7(5) ?
    Ce3 N11 C91 C92 . . . . 62.4(6) ?
    N11 C91 C92 C97 . . . . 118.9(6) ?
    N11 C91 C92 C93 . . . . -59.2(7) ?
    Ce3 O21 C93 C92 . . . . 63.9(7) ?
    Ce3 O21 C93 C94 . . . . -118.3(5) ?
    C97 C92 C93 O21 . . . . 179.5(5) ?
    C91 C92 C93 O21 . . . . -2.5(8) ?
    C97 C92 C93 C94 . . . . 1.6(8) ?
    C91 C92 C93 C94 . . . . 179.6(5) ?
    C98 O22 C94 C95 . . . . -5.0(10) ?
    C98 O22 C94 C93 . . . . 175.9(5) ?
    O21 C93 C94 C95 . . . . -177.8(5) ?
    C92 C93 C94 C95 . . . . 0.1(9) ?
    O21 C93 C94 O22 . . . . 1.4(8) ?
    C92 C93 C94 O22 . . . . 179.3(5) ?
    O22 C94 C95 C96 . . . . -179.9(6) ?
    C93 C94 C95 C96 . . . . -0.8(10) ?
    C94 C95 C96 C97 . . . . -0.1(10) ?
    C95 C96 C97 C92 . . . . 1.8(9) ?
    C93 C92 C97 C96 . . . . -2.5(9) ?
    C91 C92 C97 C96 . . . . 179.5(5) ?
    C108 N12 C99 C100 . . . . -164.8(5) ?
    Ce3 N12 C99 C100 . . . . 62.4(5) ?
    N12 C99 C100 C105 . . . . 120.5(6) ?
    N12 C99 C100 C101 . . . . -61.4(6) ?
    Ce3 O23 C101 C102 . . . . -117.7(5) ?
    Ce3 O23 C101 C100 . . . . 63.0(7) ?
    C105 C100 C101 O23 . . . . 178.3(5) ?
    C99 C100 C101 O23 . . . . 0.2(8) ?
    C105 C100 C101 C102 . . . . -0.9(8) ?
    C99 C100 C101 C102 . . . . -179.1(5) ?
    C06B O24 C102 C103 . . . . 23.6(14) ?
    C06A O24 C102 C103 . . . . -15.8(10) ?
    C06B O24 C102 C101 . . . . -155.4(11) ?
    C06A O24 C102 C101 . . . . 165.2(7) ?
    O23 C101 C102 O24 . . . . 1.2(8) ?
    C100 C101 C102 O24 . . . . -179.5(5) ?
    O23 C101 C102 C103 . . . . -177.8(5) ?
    C100 C101 C102 C103 . . . . 1.5(9) ?
    O24 C102 C103 C104 . . . . -179.8(6) ?
    C101 C102 C103 C104 . . . . -0.8(10) ?
    C102 C103 C104 C105 . . . . -0.4(10) ?
    C103 C104 C105 C100 . . . . 1.0(10) ?
    C101 C100 C105 C104 . . . . -0.3(9) ?
    C99 C100 C105 C104 . . . . 177.8(6) ?
    C91 N11 C107 C108 . . . . 177.2(5) ?
    Ce3 N11 C107 C108 . . . . -47.6(6) ?
    C99 N12 C108 C107 . . . . 178.5(5) ?
    Ce3 N12 C108 C107 . . . . -47.3(5) ?
    N11 C107 C108 N12 . . . . 63.2(7) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    C26 H26B O17 2_655 0.96 2.54 3.358(7) 143.0
    C16 H16B O19 2_645 0.96 2.60 3.411(7) 142.9
    C55 H55A O6 2_645 0.97 2.69 3.634(6) 165.6
data_global
_journal_date_recd_electronic     2006-12-18
_journal_date_accepted     2007-01-09
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue      2
_journal_page_first     m484
_journal_page_last     m486
_journal_paper_category     EM
_journal_coeditor_code     AT2196
_publ_contact_author_name     'Y-F Liu'
_publ_contact_author_address
;
Department of Chemical Engineering
Huaihai Institute of Technology
Lianyungang Jiangsu 222005
P. R. China
;
_publ_contact_author_email     liu222005@hhit.edu.cn
_publ_contact_author_fax     ?
_publ_contact_author_phone     '13812345492'
_publ_section_title
;\
Bis[6,6'-dimethoxy-2,2'-(ethane-1,2-diyldiiminodimethylene)diphenol-\
κ²N,N',O,O']cerium(IV)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Liu, Y.-F.' .
;
Department of Chemical Engineering
Huaihai Institute of Technology
Lianyungang Jiangsu 222005
People's Republic of China
;
    'Xia, H.-T.' .
;
Department of Chemical Engineering
Huaihai Institute of Technology
Lianyungang Jiangsu 222005
People's Republic of China
;
    'Wang, D.-Q.' .
;
College of Chemistry and Chemical Engineering
Liaocheng University
Shandong 252059
People's Republic of China
;
    'Yang, S.-P.' .
;
Department of Chemical Engineering
Huaihai Institute of Technology
Lianyungang Jiangsu 222005
People's Republic of China
;
