##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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 2.4.    #
#                                                                            #
# 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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data_global
_journal_date_recd_electronic     2010-11-15
_journal_date_accepted     2010-12-09
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      1
_journal_page_first     m80
_journal_page_last     m81
_journal_paper_category     QM
_journal_coeditor_code     BX2333
_publ_contact_author_name     'Juan Li'
_publ_contact_author_address
;
College of Geographical and Environmental Sciences
Guizhou Normal University, Guiyang 550001, People's Republic of China
;
_publ_contact_author_email     fengyeqiang6699@126.com
_publ_contact_author_fax     '86-851-6702710'
_publ_contact_author_phone     '86-851-6702113'
_publ_section_title
;\
μ-Decanedioato-bis[aquabis(1,10-phenanthroline-κ²N,N')\
manganese(II)] dinitrate--sebacic acid--water (1/1/2)
;
loop_
    _publ_author_name
    _publ_author_address
    'Ye-Qiang Feng'
;
Key Laboratory for Information System of Mountainous Areas and
Protection of the Economical Environment of Guizhou Province,
Guizhou Normal University, Guiyang 550001, People's Republic of China
;
    'Jian Long'
;
Key Laboratory for Information System of Mountainous Areas and
Protection of the Economical Environment of Guizhou Province,
Guizhou Normal University, Guiyang 550001, People's Republic of China
;
    'Juan Li'
;
College of Geographical and Environmental Sciences
Guizhou Normal University, Guiyang 550001, People's Republic of China
;
data_I
_chemical_name_systematic
;
μ-Decanedioato-bis[aquabis(1,10-phenanthroline-
κ²N,N')manganese(II)] dinitrate--sebacic acid--water (1/1/2)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C58 H52 Mn2 N8 O6, 2(N O3 -), C10 H18 O4, 2(H2 O)'
_chemical_formula_sum     'C68 H74 Mn2 N10 O18'
_chemical_formula_iupac
            '[Mn2 (C10 H16 O4) (C12 H8 N2)4 (H2 O)2] (N O3)2, C10 H18 O4, 2H2 O'
_chemical_formula_weight     1429.00
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     11.6712(3)
_cell_length_b     12.5316(3)
_cell_length_c     12.8561(3)
_cell_angle_alpha     76.6780(10)
_cell_angle_beta     66.8450(10)
_cell_angle_gamma     81.9710(10)
_cell_volume     1679.79(7)
_cell_formula_units_Z     1
_cell_measurement_reflns_used     9906
_cell_measurement_theta_min     1.67
_cell_measurement_theta_max     27.60
_cell_measurement_temperature     296(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     .583
_exptl_crystal_size_mid     .326
_exptl_crystal_size_min     .130
_exptl_crystal_density_diffrn     1.413
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     746
_exptl_absorpt_coefficient_mu     0.455
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2002)'
_exptl_absorpt_correction_T_min     0.837
_exptl_absorpt_correction_T_max     0.943
_exptl_special_details
;
;
_diffrn_ambient_temperature     296(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 APEXII'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     25302
_diffrn_reflns_av_R_equivalents     0.0247
_diffrn_reflns_av_sigmaI/netI     0.0264
_diffrn_reflns_theta_min     1.67
_diffrn_reflns_theta_max     27.60
_diffrn_reflns_theta_full     27.60
_diffrn_measured_fraction_theta_max     0.983
_diffrn_measured_fraction_theta_full     0.983
_diffrn_reflns_limit_h_min     -15
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     ?
_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 >
σ(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     7666
_reflns_number_gt     6144
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0487
_refine_ls_R_factor_gt     0.0361
_refine_ls_wR_factor_gt     0.0790
_refine_ls_wR_factor_ref     0.0851
_refine_ls_goodness_of_fit_ref     1.027
_refine_ls_restrained_S_all     1.027
_refine_ls_number_reflns     7666
_refine_ls_number_parameters     449
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0300P)²+0.5800P] 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     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.497
_refine_diff_density_min     -0.378
_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'
    'Mn' 'Mn' 0.3368 0.7283
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2006)'
_computing_cell_refinement     'SAINT (Bruker, 2006)'
_computing_data_reduction     'SAINT (Bruker, 2006)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
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
    Mn Mn1 0.70121(2) 0.230330(18) 0.31787(2) 0.03465(8) Uani d . 1 . .
    O O1 0.53707(11) 0.15166(9) 0.36166(10) 0.0456(3) Uani d . 1 . .
    O O2 0.38982(10) 0.03550(9) 0.41943(10) 0.0441(3) Uani d . 1 . .
    O O1W 0.68822(11) 0.16789(10) 0.49202(10) 0.0474(3) Uani d . 1 . .
    H H1A 0.6574 0.1060 0.5275 0.071 Uiso d R 1 . .
    H H1B 0.7441 0.1750 0.5212 0.071 Uiso d R 1 . .
    N N1 0.88153(13) 0.12483(11) 0.24456(12) 0.0423(3) Uani d . 1 . .
    N N2 0.74524(13) 0.24656(11) 0.12571(12) 0.0407(3) Uani d . 1 . .
    N N3 0.58719(12) 0.39148(10) 0.33027(11) 0.0370(3) Uani d . 1 . .
    N N4 0.82861(12) 0.36202(10) 0.31342(11) 0.0381(3) Uani d . 1 . .
    C C1 0.50113(15) 0.05984(12) 0.36745(13) 0.0339(3) Uani d . 1 . .
    C C2 0.59493(16) -0.02534(14) 0.31001(15) 0.0413(4) Uani d . 1 . .
    H H2A 0.6080 -0.0840 0.3690 0.050 Uiso calc R 1 . .
    H H2B 0.6740 0.0081 0.2641 0.050 Uiso calc R 1 . .
    C C3 0.55376(16) -0.07434(13) 0.23259(14) 0.0409(4) Uani d . 1 . .
    H H3A 0.6146 -0.1319 0.2030 0.049 Uiso calc R 1 . .
    H H3B 0.4746 -0.1076 0.2785 0.049 Uiso calc R 1 . .
    C C4 0.53961(18) 0.00960(14) 0.13196(14) 0.0453(4) Uani d . 1 . .
    H H4A 0.6167 0.0470 0.0894 0.054 Uiso calc R 1 . .
    H H4B 0.4740 0.0640 0.1615 0.054 Uiso calc R 1 . .
    C C5 0.50857(18) -0.04110(14) 0.05008(15) 0.0478(4) Uani d . 1 . .
    H H5A 0.5750 -0.0947 0.0199 0.057 Uiso calc R 1 . .
    H H5B 0.4325 -0.0799 0.0933 0.057 Uiso calc R 1 . .
    C C6 0.67555(19) 0.30097(15) 0.06869(16) 0.0524(4) Uani d . 1 . .
    H H6A 0.5980 0.3311 0.1103 0.063 Uiso calc R 1 . .
    C C7 0.7121(2) 0.31556(18) -0.05024(18) 0.0651(6) Uani d . 1 . .
    H H7A 0.6596 0.3537 -0.0867 0.078 Uiso calc R 1 . .
    C C8 0.8255(2) 0.27326(18) -0.11219(17) 0.0654(6) Uani d . 1 . .
    H H8A 0.8516 0.2828 -0.1919 0.078 Uiso calc R 1 . .
    C C9 1.0253(2) 0.1706(2) -0.11490(19) 0.0692(6) Uani d . 1 . .
    H H9A 1.0561 0.1789 -0.1947 0.083 Uiso calc R 1 . .
    C C10 1.0960(2) 0.1170(2) -0.0567(2) 0.0711(7) Uani d . 1 . .
    H H10A 1.1759 0.0903 -0.0974 0.085 Uiso calc R 1 . .
    C C11 1.1218(2) 0.04253(18) 0.1314(2) 0.0700(6) Uani d . 1 . .
    H H11A 1.2028 0.0157 0.0943 0.084 Uiso calc R 1 . .
    C C12 1.0713(2) 0.02624(17) 0.2480(2) 0.0679(6) Uani d . 1 . .
    H H12A 1.1171 -0.0116 0.2914 0.081 Uiso calc R 1 . .
    C C13 0.94950(19) 0.06706(14) 0.30215(18) 0.0543(5) Uani d . 1 . .
    H H13A 0.9145 0.0531 0.3823 0.065 Uiso calc R 1 . .
    C C14 0.90359(19) 0.21517(16) -0.05620(16) 0.0539(5) Uani d . 1 . .
    C C15 0.85812(16) 0.20248(13) 0.06474(14) 0.0412(4) Uani d . 1 . .
    C C16 1.05239(17) 0.09953(16) 0.06647(19) 0.0556(5) Uani d . 1 . .
    C C17 0.93227(15) 0.14120(13) 0.12730(15) 0.0418(4) Uani d . 1 . .
    C C18 0.94555(16) 0.34774(14) 0.30703(16) 0.0472(4) Uani d . 1 . .
    H H18A 0.9895 0.2823 0.2891 0.057 Uiso calc R 1 . .
    C C19 1.00663(18) 0.42543(16) 0.32574(18) 0.0558(5) Uani d . 1 . .
    H H19A 1.0888 0.4114 0.3208 0.067 Uiso calc R 1 . .
    C C20 0.94419(19) 0.52166(16) 0.35118(17) 0.0550(5) Uani d . 1 . .
    H H20A 0.9829 0.5738 0.3652 0.066 Uiso calc R 1 . .
    C C21 0.7496(2) 0.64238(14) 0.38036(16) 0.0539(5) Uani d . 1 . .
    H H21A 0.7849 0.6969 0.3945 0.065 Uiso calc R 1 . .
    C C22 0.6327(2) 0.65874(14) 0.38290(15) 0.0522(5) Uani d . 1 . .
    H H22A 0.5887 0.7249 0.3979 0.063 Uiso calc R 1 . .
    C C23 0.45241(18) 0.59084(15) 0.36366(15) 0.0508(4) Uani d . 1 . .
    H H23A 0.4065 0.6569 0.3751 0.061 Uiso calc R 1 . .
    C C24 0.40184(18) 0.50752(16) 0.34740(16) 0.0524(5) Uani d . 1 . .
    H H24A 0.3222 0.5167 0.3455 0.063 Uiso calc R 1 . .
    C C25 0.47149(16) 0.40809(14) 0.33364(15) 0.0444(4) Uani d . 1 . .
    H H25A 0.4345 0.3505 0.3265 0.053 Uiso calc R 1 . .
    C C26 0.82112(17) 0.54230(13) 0.35622(14) 0.0449(4) Uani d . 1 . .
    C C27 0.76600(15) 0.45891(12) 0.33745(13) 0.0368(3) Uani d . 1 . .
    C C28 0.57400(17) 0.57670(13) 0.36306(14) 0.0431(4) Uani d . 1 . .
    C C29 0.63978(15) 0.47586(12) 0.34317(13) 0.0359(3) Uani d . 1 . .
    O O3 0.36732(19) 0.40660(15) 0.14822(16) 0.0929(6) Uani d . 1 . .
    O O4 0.28810(17) 0.24951(13) 0.16774(15) 0.0837(5) Uani d . 1 . .
    H H4C 0.2729 0.2445 0.2389 0.126 Uiso d R 1 . .
    C C30 0.3445(2) 0.34024(18) 0.1066(2) 0.0613(5) Uani d . 1 . .
    C C31 0.3730(2) 0.35127(18) -0.01941(19) 0.0663(6) Uani d . 1 . .
    H H31A 0.4293 0.2905 -0.0474 0.080 Uiso calc R 1 . .
    H H31B 0.4147 0.4188 -0.0610 0.080 Uiso calc R 1 . .
    C C32 0.2553(2) 0.35228(17) -0.04290(18) 0.0630(5) Uani d . 1 . .
    H H32A 0.2779 0.3504 -0.1236 0.076 Uiso calc R 1 . .
    H H32B 0.2111 0.2868 0.0026 0.076 Uiso calc R 1 . .
    C C33 0.1694(2) 0.45277(16) -0.01428(18) 0.0585(5) Uani d . 1 . .
    H H33A 0.1603 0.4618 0.0616 0.070 Uiso calc R 1 . .
    H H33B 0.2089 0.5168 -0.0692 0.070 Uiso calc R 1 . .
    C C34 0.0418(2) 0.44959(16) -0.01543(17) 0.0586(5) Uani d . 1 . .
    H H34A 0.0022 0.3852 0.0387 0.070 Uiso calc R 1 . .
    H H34B 0.0503 0.4422 -0.0917 0.070 Uiso calc R 1 . .
    N N5 0.91636(17) 0.22595(15) 0.58128(14) 0.0582(4) Uani d . 1 . .
    O O5A 0.8094(5) 0.2322(5) 0.6183(5) 0.0960(12) Uani d P 0.456(4) A 1
    O O6A 0.9670(4) 0.1569(6) 0.5070(6) 0.0749(10) Uani d P 0.456(4) A 1
    O O5B 0.8208(4) 0.2931(4) 0.6291(4) 0.0960(12) Uani d P 0.544(4) A 2
    O O6B 0.9028(4) 0.1683(5) 0.5265(5) 0.0749(10) Uani d P 0.544(4) A 2
    O O7 1.00394(16) 0.24493(15) 0.60047(16) 0.0858(5) Uani d . 1 A .
    O O2W 0.23404(16) 0.21497(15) 0.39055(14) 0.0915(6) Uani d . 1 . .
    H H2C 0.2807 0.1610 0.4072 0.137 Uiso d R 1 . .
    H H2D 0.1631 0.2073 0.4453 0.137 Uiso d R 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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
    Mn1 O1 . 2.0934(11) ?
    Mn1 O1W . 2.1462(11) ?
    Mn1 N3 . 2.2596(13) ?
    Mn1 N2 . 2.2821(13) ?
    Mn1 N1 . 2.3027(14) ?
    Mn1 N4 . 2.3480(13) ?
    O1 C1 . 1.2556(18) ?
    O2 C1 . 1.2496(18) ?
    O1W H1A . 0.8516 ?
    O1W H1B . 0.8939 ?
    N1 C13 . 1.325(2) ?
    N1 C17 . 1.362(2) ?
    N2 C6 . 1.322(2) ?
    N2 C15 . 1.356(2) ?
    N3 C25 . 1.322(2) ?
    N3 C29 . 1.3654(19) ?
    N4 C18 . 1.324(2) ?
    N4 C27 . 1.361(2) ?
    C1 C2 . 1.511(2) ?
    C2 C3 . 1.529(2) ?
    C2 H2A . 0.9700 ?
    C2 H2B . 0.9700 ?
    C3 C4 . 1.516(2) ?
    C3 H3A . 0.9700 ?
    C3 H3B . 0.9700 ?
    C4 C5 . 1.522(2) ?
    C4 H4A . 0.9700 ?
    C4 H4B . 0.9700 ?
    C5 C5 2_655 1.514(3) ?
    C5 H5A . 0.9700 ?
    C5 H5B . 0.9700 ?
    C6 C7 . 1.390(3) ?
    C6 H6A . 0.9300 ?
    C7 C8 . 1.355(3) ?
    C7 H7A . 0.9300 ?
    C8 C14 . 1.403(3) ?
    C8 H8A . 0.9300 ?
    C9 C10 . 1.339(3) ?
    C9 C14 . 1.424(3) ?
    C9 H9A . 0.9300 ?
    C10 C16 . 1.432(3) ?
    C10 H10A . 0.9300 ?
    C11 C12 . 1.354(3) ?
    C11 C16 . 1.399(3) ?
    C11 H11A . 0.9300 ?
    C12 C13 . 1.396(3) ?
    C12 H12A . 0.9300 ?
    C13 H13A . 0.9300 ?
    C14 C15 . 1.409(2) ?
    C15 C17 . 1.436(2) ?
    C16 C17 . 1.404(2) ?
    C18 C19 . 1.397(2) ?
    C18 H18A . 0.9300 ?
    C19 C20 . 1.357(3) ?
    C19 H19A . 0.9300 ?
    C20 C26 . 1.402(3) ?
    C20 H20A . 0.9300 ?
    C21 C22 . 1.340(3) ?
    C21 C26 . 1.431(3) ?
    C21 H21A . 0.9300 ?
    C22 C28 . 1.430(2) ?
    C22 H22A . 0.9300 ?
    C23 C24 . 1.361(3) ?
    C23 C28 . 1.403(3) ?
    C23 H23A . 0.9300 ?
    C24 C25 . 1.397(2) ?
    C24 H24A . 0.9300 ?
    C25 H25A . 0.9300 ?
    C26 C27 . 1.411(2) ?
    C27 C29 . 1.434(2) ?
    C28 C29 . 1.405(2) ?
    O3 C30 . 1.194(3) ?
    O4 C30 . 1.317(3) ?
    O4 H4C . 0.8500 ?
    C30 C31 . 1.497(3) ?
    C31 C32 . 1.517(3) ?
    C31 H31A . 0.9700 ?
    C31 H31B . 0.9700 ?
    C32 C33 . 1.515(3) ?
    C32 H32A . 0.9700 ?
    C32 H32B . 0.9700 ?
    C33 C34 . 1.502(3) ?
    C33 H33A . 0.9700 ?
    C33 H33B . 0.9700 ?
    C34 C34 2_565 1.512(4) ?
    C34 H34A . 0.9700 ?
    C34 H34B . 0.9700 ?
    N5 O5A . 1.147(6) ?
    N5 O6B . 1.182(5) ?
    N5 O7 . 1.206(2) ?
    N5 O5B . 1.329(4) ?
    N5 O6A . 1.344(7) ?
    O2W H2C . 0.8500 ?
    O2W H2D . 0.8500 ?
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
    O1 Mn1 O1W . . 87.16(5) ?
    O1 Mn1 N3 . . 88.76(5) ?
    O1W Mn1 N3 . . 102.95(5) ?
    O1 Mn1 N2 . . 91.66(5) ?
    O1W Mn1 N2 . . 162.78(5) ?
    N3 Mn1 N2 . . 94.19(5) ?
    O1 Mn1 N1 . . 114.20(5) ?
    O1W Mn1 N1 . . 92.32(5) ?
    N3 Mn1 N1 . . 153.19(5) ?
    N2 Mn1 N1 . . 72.51(5) ?
    O1 Mn1 N4 . . 157.92(5) ?
    O1W Mn1 N4 . . 86.23(4) ?
    N3 Mn1 N4 . . 72.28(5) ?
    N2 Mn1 N4 . . 100.72(5) ?
    N1 Mn1 N4 . . 87.11(5) ?
    C1 O1 Mn1 . . 140.58(11) ?
    Mn1 O1W H1A . . 120.0 ?
    Mn1 O1W H1B . . 126.1 ?
    H1A O1W H1B . . 105.3 ?
    C13 N1 C17 . . 117.86(16) ?
    C13 N1 Mn1 . . 126.61(13) ?
    C17 N1 Mn1 . . 114.38(11) ?
    C6 N2 C15 . . 118.10(15) ?
    C6 N2 Mn1 . . 126.09(12) ?
    C15 N2 Mn1 . . 115.62(11) ?
    C25 N3 C29 . . 117.81(14) ?
    C25 N3 Mn1 . . 125.27(11) ?
    C29 N3 Mn1 . . 116.76(10) ?
    C18 N4 C27 . . 117.69(14) ?
    C18 N4 Mn1 . . 127.89(11) ?
    C27 N4 Mn1 . . 113.65(10) ?
    O2 C1 O1 . . 122.44(15) ?
    O2 C1 C2 . . 118.14(14) ?
    O1 C1 C2 . . 119.42(14) ?
    C1 C2 C3 . . 112.98(13) ?
    C1 C2 H2A . . 109.0 ?
    C3 C2 H2A . . 109.0 ?
    C1 C2 H2B . . 109.0 ?
    C3 C2 H2B . . 109.0 ?
    H2A C2 H2B . . 107.8 ?
    C4 C3 C2 . . 113.25(14) ?
    C4 C3 H3A . . 108.9 ?
    C2 C3 H3A . . 108.9 ?
    C4 C3 H3B . . 108.9 ?
    C2 C3 H3B . . 108.9 ?
    H3A C3 H3B . . 107.7 ?
    C3 C4 C5 . . 113.00(14) ?
    C3 C4 H4A . . 109.0 ?
    C5 C4 H4A . . 109.0 ?
    C3 C4 H4B . . 109.0 ?
    C5 C4 H4B . . 109.0 ?
    H4A C4 H4B . . 107.8 ?
    C5 C5 C4 2_655 . 114.19(18) ?
    C5 C5 H5A 2_655 . 108.7 ?
    C4 C5 H5A . . 108.7 ?
    C5 C5 H5B 2_655 . 108.7 ?
    C4 C5 H5B . . 108.7 ?
    H5A C5 H5B . . 107.6 ?
    N2 C6 C7 . . 123.5(2) ?
    N2 C6 H6A . . 118.3 ?
    C7 C6 H6A . . 118.3 ?
    C8 C7 C6 . . 118.9(2) ?
    C8 C7 H7A . . 120.5 ?
    C6 C7 H7A . . 120.5 ?
    C7 C8 C14 . . 120.04(18) ?
    C7 C8 H8A . . 120.0 ?
    C14 C8 H8A . . 120.0 ?
    C10 C9 C14 . . 120.9(2) ?
    C10 C9 H9A . . 119.6 ?
    C14 C9 H9A . . 119.6 ?
    C9 C10 C16 . . 122.0(2) ?
    C9 C10 H10A . . 119.0 ?
    C16 C10 H10A . . 119.0 ?
    C12 C11 C16 . . 120.2(2) ?
    C12 C11 H11A . . 119.9 ?
    C16 C11 H11A . . 119.9 ?
    C11 C12 C13 . . 119.1(2) ?
    C11 C12 H12A . . 120.4 ?
    C13 C12 H12A . . 120.4 ?
    N1 C13 C12 . . 123.0(2) ?
    N1 C13 H13A . . 118.5 ?
    C12 C13 H13A . . 118.5 ?
    C8 C14 C15 . . 117.25(19) ?
    C8 C14 C9 . . 123.68(19) ?
    C15 C14 C9 . . 119.1(2) ?
    N2 C15 C14 . . 122.20(17) ?
    N2 C15 C17 . . 117.93(14) ?
    C14 C15 C17 . . 119.87(16) ?
    C11 C16 C17 . . 117.1(2) ?
    C11 C16 C10 . . 124.2(2) ?
    C17 C16 C10 . . 118.7(2) ?
    N1 C17 C16 . . 122.60(17) ?
    N1 C17 C15 . . 117.97(15) ?
    C16 C17 C15 . . 119.43(17) ?
    N4 C18 C19 . . 123.66(17) ?
    N4 C18 H18A . . 118.2 ?
    C19 C18 H18A . . 118.2 ?
    C20 C19 C18 . . 118.94(18) ?
    C20 C19 H19A . . 120.5 ?
    C18 C19 H19A . . 120.5 ?
    C19 C20 C26 . . 119.83(17) ?
    C19 C20 H20A . . 120.1 ?
    C26 C20 H20A . . 120.1 ?
    C22 C21 C26 . . 121.07(17) ?
    C22 C21 H21A . . 119.5 ?
    C26 C21 H21A . . 119.5 ?
    C21 C22 C28 . . 121.46(16) ?
    C21 C22 H22A . . 119.3 ?
    C28 C22 H22A . . 119.3 ?
    C24 C23 C28 . . 119.77(16) ?
    C24 C23 H23A . . 120.1 ?
    C28 C23 H23A . . 120.1 ?
    C23 C24 C25 . . 118.93(17) ?
    C23 C24 H24A . . 120.5 ?
    C25 C24 H24A . . 120.5 ?
    N3 C25 C24 . . 123.50(17) ?
    N3 C25 H25A . . 118.3 ?
    C24 C25 H25A . . 118.3 ?
    C20 C26 C27 . . 117.54(16) ?
    C20 C26 C21 . . 123.32(16) ?
    C27 C26 C21 . . 119.14(17) ?
    N4 C27 C26 . . 122.33(15) ?
    N4 C27 C29 . . 118.19(14) ?
    C26 C27 C29 . . 119.49(15) ?
    C23 C28 C29 . . 117.61(16) ?
    C23 C28 C22 . . 123.34(16) ?
    C29 C28 C22 . . 119.05(17) ?
    N3 C29 C28 . . 122.27(15) ?
    N3 C29 C27 . . 118.00(13) ?
    C28 C29 C27 . . 119.72(15) ?
    C30 O4 H4C . . 110.9 ?
    O3 C30 O4 . . 123.4(2) ?
    O3 C30 C31 . . 124.5(2) ?
    O4 C30 C31 . . 112.14(19) ?
    C30 C31 C32 . . 111.44(18) ?
    C30 C31 H31A . . 109.3 ?
    C32 C31 H31A . . 109.3 ?
    C30 C31 H31B . . 109.3 ?
    C32 C31 H31B . . 109.3 ?
    H31A C31 H31B . . 108.0 ?
    C33 C32 C31 . . 112.29(17) ?
    C33 C32 H32A . . 109.1 ?
    C31 C32 H32A . . 109.1 ?
    C33 C32 H32B . . 109.1 ?
    C31 C32 H32B . . 109.1 ?
    H32A C32 H32B . . 107.9 ?
    C34 C33 C32 . . 115.04(17) ?
    C34 C33 H33A . . 108.5 ?
    C32 C33 H33A . . 108.5 ?
    C34 C33 H33B . . 108.5 ?
    C32 C33 H33B . . 108.5 ?
    H33A C33 H33B . . 107.5 ?
    C33 C34 C34 . 2_565 113.5(2) ?
    C33 C34 H34A . . 108.9 ?
    C34 C34 H34A 2_565 . 108.9 ?
    C33 C34 H34B . . 108.9 ?
    C34 C34 H34B 2_565 . 108.9 ?
    H34A C34 H34B . . 107.7 ?
    O5A N5 O6B . . 83.5(3) ?
    O5A N5 O7 . . 140.7(3) ?
    O6B N5 O7 . . 134.2(3) ?
    O5A N5 O5B . . 39.0(3) ?
    O6B N5 O5B . . 118.1(3) ?
    O7 N5 O5B . . 107.6(2) ?
    O5A N5 O6A . . 114.4(3) ?
    O6B N5 O6A . . 31.1(2) ?
    O7 N5 O6A . . 103.2(3) ?
    O5B N5 O6A . . 148.1(3) ?
    H2C O2W H2D . . 105.9 ?
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
    O1W Mn1 O1 C1 . . . . -86.07(17) ?
    N3 Mn1 O1 C1 . . . . 170.90(17) ?
    N2 Mn1 O1 C1 . . . . 76.74(17) ?
    N1 Mn1 O1 C1 . . . . 5.20(18) ?
    N4 Mn1 O1 C1 . . . . -158.77(15) ?
    O1 Mn1 N1 C13 . . . . -97.67(15) ?
    O1W Mn1 N1 C13 . . . . -9.73(15) ?
    N3 Mn1 N1 C13 . . . . 115.53(16) ?
    N2 Mn1 N1 C13 . . . . 178.56(15) ?
    N4 Mn1 N1 C13 . . . . 76.37(15) ?
    O1 Mn1 N1 C17 . . . . 94.93(11) ?
    O1W Mn1 N1 C17 . . . . -177.14(11) ?
    N3 Mn1 N1 C17 . . . . -51.88(17) ?
    N2 Mn1 N1 C17 . . . . 11.15(10) ?
    N4 Mn1 N1 C17 . . . . -91.04(11) ?
    O1 Mn1 N2 C6 . . . . 61.19(14) ?
    O1W Mn1 N2 C6 . . . . 146.96(16) ?
    N3 Mn1 N2 C6 . . . . -27.69(14) ?
    N1 Mn1 N2 C6 . . . . 176.08(15) ?
    N4 Mn1 N2 C6 . . . . -100.43(14) ?
    O1 Mn1 N2 C15 . . . . -123.98(11) ?
    O1W Mn1 N2 C15 . . . . -38.2(2) ?
    N3 Mn1 N2 C15 . . . . 147.14(11) ?
    N1 Mn1 N2 C15 . . . . -9.09(11) ?
    N4 Mn1 N2 C15 . . . . 74.40(11) ?
    O1 Mn1 N3 C25 . . . . -14.49(13) ?
    O1W Mn1 N3 C25 . . . . -101.30(13) ?
    N2 Mn1 N3 C25 . . . . 77.08(13) ?
    N1 Mn1 N3 C25 . . . . 135.54(14) ?
    N4 Mn1 N3 C25 . . . . 177.00(14) ?
    O1 Mn1 N3 C29 . . . . 160.80(11) ?
    O1W Mn1 N3 C29 . . . . 73.99(11) ?
    N2 Mn1 N3 C29 . . . . -107.63(11) ?
    N1 Mn1 N3 C29 . . . . -49.17(17) ?
    N4 Mn1 N3 C29 . . . . -7.71(10) ?
    O1 Mn1 N4 C18 . . . . 146.84(15) ?
    O1W Mn1 N4 C18 . . . . 73.97(14) ?
    N3 Mn1 N4 C18 . . . . 178.85(15) ?
    N2 Mn1 N4 C18 . . . . -90.14(15) ?
    N1 Mn1 N4 C18 . . . . -18.55(14) ?
    O1 Mn1 N4 C27 . . . . -22.76(19) ?
    O1W Mn1 N4 C27 . . . . -95.63(11) ?
    N3 Mn1 N4 C27 . . . . 9.26(10) ?
    N2 Mn1 N4 C27 . . . . 100.26(11) ?
    N1 Mn1 N4 C27 . . . . 171.85(11) ?
    Mn1 O1 C1 O2 . . . . 165.93(12) ?
    Mn1 O1 C1 C2 . . . . -14.0(2) ?
    O2 C1 C2 C3 . . . . 50.5(2) ?
    O1 C1 C2 C3 . . . . -129.64(15) ?
    C1 C2 C3 C4 . . . . 62.81(19) ?
    C2 C3 C4 C5 . . . . 175.50(15) ?
    C3 C4 C5 C5 . . . 2_655 178.9(2) ?
    C15 N2 C6 C7 . . . . -0.2(3) ?
    Mn1 N2 C6 C7 . . . . 174.50(14) ?
    N2 C6 C7 C8 . . . . -0.8(3) ?
    C6 C7 C8 C14 . . . . 0.4(3) ?
    C14 C9 C10 C16 . . . . 1.5(3) ?
    C16 C11 C12 C13 . . . . 0.0(3) ?
    C17 N1 C13 C12 . . . . 2.4(3) ?
    Mn1 N1 C13 C12 . . . . -164.64(14) ?
    C11 C12 C13 N1 . . . . -2.4(3) ?
    C7 C8 C14 C15 . . . . 0.7(3) ?
    C7 C8 C14 C9 . . . . -178.27(19) ?
    C10 C9 C14 C8 . . . . 179.2(2) ?
    C10 C9 C14 C15 . . . . 0.2(3) ?
    C6 N2 C15 C14 . . . . 1.5(2) ?
    Mn1 N2 C15 C14 . . . . -173.76(12) ?
    C6 N2 C15 C17 . . . . -178.53(14) ?
    Mn1 N2 C15 C17 . . . . 6.19(18) ?
    C8 C14 C15 N2 . . . . -1.8(2) ?
    C9 C14 C15 N2 . . . . 177.29(16) ?
    C8 C14 C15 C17 . . . . 178.28(16) ?
    C9 C14 C15 C17 . . . . -2.7(2) ?
    C12 C11 C16 C17 . . . . 2.2(3) ?
    C12 C11 C16 C10 . . . . -177.49(19) ?
    C9 C10 C16 C11 . . . . 178.9(2) ?
    C9 C10 C16 C17 . . . . -0.8(3) ?
    C13 N1 C17 C16 . . . . 0.0(2) ?
    Mn1 N1 C17 C16 . . . . 168.56(13) ?
    C13 N1 C17 C15 . . . . 179.16(15) ?
    Mn1 N1 C17 C15 . . . . -12.26(17) ?
    C11 C16 C17 N1 . . . . -2.2(3) ?
    C10 C16 C17 N1 . . . . 177.46(16) ?
    C11 C16 C17 C15 . . . . 178.62(16) ?
    C10 C16 C17 C15 . . . . -1.7(2) ?
    N2 C15 C17 N1 . . . . 4.2(2) ?
    C14 C15 C17 N1 . . . . -175.80(14) ?
    N2 C15 C17 C16 . . . . -176.55(14) ?
    C14 C15 C17 C16 . . . . 3.4(2) ?
    C27 N4 C18 C19 . . . . 1.3(3) ?
    Mn1 N4 C18 C19 . . . . -167.94(14) ?
    N4 C18 C19 C20 . . . . -0.5(3) ?
    C18 C19 C20 C26 . . . . -1.1(3) ?
    C26 C21 C22 C28 . . . . 0.8(3) ?
    C28 C23 C24 C25 . . . . 1.8(3) ?
    C29 N3 C25 C24 . . . . 1.3(2) ?
    Mn1 N3 C25 C24 . . . . 176.52(13) ?
    C23 C24 C25 N3 . . . . -3.2(3) ?
    C19 C20 C26 C27 . . . . 1.8(3) ?
    C19 C20 C26 C21 . . . . -178.82(18) ?
    C22 C21 C26 C20 . . . . 179.20(18) ?
    C22 C21 C26 C27 . . . . -1.4(3) ?
    C18 N4 C27 C26 . . . . -0.5(2) ?
    Mn1 N4 C27 C26 . . . . 170.22(12) ?
    C18 N4 C27 C29 . . . . 179.24(14) ?
    Mn1 N4 C27 C29 . . . . -10.02(17) ?
    C20 C26 C27 N4 . . . . -1.0(2) ?
    C21 C26 C27 N4 . . . . 179.60(15) ?
    C20 C26 C27 C29 . . . . 179.24(15) ?
    C21 C26 C27 C29 . . . . -0.1(2) ?
    C24 C23 C28 C29 . . . . 1.2(3) ?
    C24 C23 C28 C22 . . . . -178.06(17) ?
    C21 C22 C28 C23 . . . . -179.27(18) ?
    C21 C22 C28 C29 . . . . 1.5(3) ?
    C25 N3 C29 C28 . . . . 2.0(2) ?
    Mn1 N3 C29 C28 . . . . -173.70(11) ?
    C25 N3 C29 C27 . . . . -178.87(14) ?
    Mn1 N3 C29 C27 . . . . 5.47(18) ?
    C23 C28 C29 N3 . . . . -3.2(2) ?
    C22 C28 C29 N3 . . . . 176.11(15) ?
    C23 C28 C29 C27 . . . . 177.68(14) ?
    C22 C28 C29 C27 . . . . -3.1(2) ?
    N4 C27 C29 N3 . . . . 3.4(2) ?
    C26 C27 C29 N3 . . . . -176.81(14) ?
    N4 C27 C29 C28 . . . . -177.37(14) ?
    C26 C27 C29 C28 . . . . 2.4(2) ?
    O3 C30 C31 C32 . . . . -119.2(2) ?
    O4 C30 C31 C32 . . . . 59.2(2) ?
    C30 C31 C32 C33 . . . . 65.7(2) ?
    C31 C32 C33 C34 . . . . -169.68(17) ?
    C32 C33 C34 C34 . . . 2_565 179.1(2) ?
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
    O1W H1A O2 2_656 0.85 1.83 2.6680(16) 169.8
    O2W H2D O6A 1_455 0.85 2.24 2.991(6) 147.5
    O2W H2D O7 1_455 0.85 2.22 3.020(2) 156.9
    O1W H1B O6B . 0.89 1.87 2.710(4) 156.0
    O1W H1B O5A . 0.89 1.99 2.830(5) 155.9
    O2W H2C O2 . 0.85 1.90 2.7396(19) 170.3
    O4 H4C O2W . 0.85 1.78 2.622(2) 171.8
