##############################################################################
###                                                                        ###
###        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/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2006-10-19
_journal_date_accepted     2006-11-01
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue     12
_journal_page_first     m3275
_journal_page_last     m3276
_journal_paper_category     EM
_journal_coeditor_code     SG2080
_publ_contact_author_name     'Li, Ming-xue'
_publ_contact_author_address
;
      Institute of Molecular and Crystal Engineering,
      School of Chemistry and Chemical Engineering,
      Henan University, Kaifeng, Henan
      475001 P. R. China
;
_publ_contact_author_email     limingxue@henu.edu.cn
_publ_contact_author_fax     ?
_publ_contact_author_phone     '03782192443'
_publ_section_title
;
Bis(ferrocenecarbaldehyde) (1,2-diphenylethane-1,2-diylidene)dihydrazone
;
loop_
    _publ_author_name
    _publ_author_address
    'Zhou, Jing'
;
      Institute of Molecular and Crystal Engineering,
      School of Chemistry and Chemical Engineering,
      Henan University, Kaifeng
      Henan 475001
      People's Republic of China
;
    'Yan, Lin'
;
      College of Pharmacy,
      Henan University, Kaifeng
      Henan 475001
      People's Republic of China
;
    'Bi, Dong-Qin'
;
      College of Pharmacy,
      Henan University, Kaifeng
      Henan 475001
      People's Republic of China
;
    'Li, Ming-Xue'
;
      Institute of Molecular and Crystal Engineering,
      School of Chemistry and Chemical Engineering,
      Henan University, Kaifeng
      Henan 475001
      People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis(ferrocenecarbaldehyde) (1,2-diphenylethane-1,2-diylidene)dihydrazone
;
_chemical_name_common     ?
_chemical_formula_moiety     'C36 H30 Fe2 N4'
_chemical_formula_sum     'C36 H30 Fe2 N4'
_chemical_formula_iupac     '[Fe2 (C5 H5)2 (C26 H20 N4)]'
_chemical_formula_weight     630.34
_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     12.066(3)
_cell_length_b     11.187(3)
_cell_length_c     22.402(6)
_cell_angle_alpha     90.00
_cell_angle_beta     96.284(5)
_cell_angle_gamma     90.00
_cell_volume     3005.6(13)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     380
_cell_measurement_theta_min     2.04
_cell_measurement_theta_max     28.28
_cell_measurement_temperature     293(2)
_exptl_crystal_description     'rod'
_exptl_crystal_colour     'Red'
_exptl_crystal_size_max     0.26
_exptl_crystal_size_mid     0.18
_exptl_crystal_size_min     0.16
_exptl_crystal_density_diffrn     1.393
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1304
_exptl_absorpt_coefficient_mu     0.997
_exptl_absorpt_correction_type     'none'
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(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 APEX CCD'
_diffrn_measurement_method     'ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     14449
_diffrn_reflns_av_R_equivalents     0.0697
_diffrn_reflns_av_sigmaI/netI     0.0643
_diffrn_reflns_theta_min     2.04
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_limit_l_max     26
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_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     5285
_reflns_number_gt     3782
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0632
_refine_ls_R_factor_gt     0.0443
_refine_ls_wR_factor_gt     0.1049
_refine_ls_wR_factor_ref     0.1095
_refine_ls_goodness_of_fit_ref     0.999
_refine_ls_restrained_S_all     1.010
_refine_ls_number_reflns     5285
_refine_ls_number_parameters     379
_refine_ls_number_restraints     18
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0524P)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     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.572
_refine_diff_density_min     -0.338
_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'
    'Fe' 'Fe' 0.3463 0.8444
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2001)'
_computing_cell_refinement     'SAINT-Plus (Bruker, 2001)'
_computing_data_reduction     'SAINT-PLus'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXL97'
_computing_publication_material     'SHELXL97'
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
    Fe Fe1 0.44035(3) 0.82439(3) 0.083294(19) 0.04335(14) Uani d . 1 . .
    Fe Fe2 -0.13375(3) 0.69682(4) -0.05636(2) 0.05436(16) Uani d . 1 . .
    C C1 0.5148(2) 0.7259(3) 0.02334(13) 0.0446(7) Uani d . 1 . .
    C C2 0.5430(2) 0.8488(3) 0.01846(14) 0.0490(7) Uani d . 1 . .
    H H2B 0.5277 0.8988 -0.0174 0.059 Uiso calc R 1 . .
    C C3 0.5969(2) 0.8857(3) 0.07428(14) 0.0548(8) Uani d . 1 . .
    H H3B 0.6243 0.9666 0.0841 0.066 Uiso calc R 1 . .
    C C4 0.6027(2) 0.7884(3) 0.11403(15) 0.0550(8) Uani d . 1 . .
    H H4B 0.6350 0.7897 0.1561 0.066 Uiso calc R 1 . .
    C C5 0.5519(2) 0.6884(3) 0.08314(14) 0.0512(8) Uani d . 1 . .
    H H5A 0.5439 0.6083 0.0998 0.061 Uiso calc R 1 . .
    C C6 0.2736(3) 0.7977(3) 0.06649(17) 0.0663(10) Uani d . 1 . .
    H H6A 0.2367 0.7433 0.0363 0.080 Uiso calc R 1 . .
    C C7 0.2997(3) 0.9176(4) 0.05717(17) 0.0699(10) Uani d . 1 . .
    H H7A 0.2838 0.9623 0.0196 0.084 Uiso calc R 1 . .
    C C8 0.3521(3) 0.9630(3) 0.11209(19) 0.0724(10) Uani d . 1 . .
    H H8A 0.3796 1.0448 0.1191 0.087 Uiso calc R 1 . .
    C C9 0.3577(3) 0.8714(3) 0.15464(16) 0.0672(9) Uani d . 1 . .
    H H9A 0.3902 0.8774 0.1966 0.081 Uiso calc R 1 . .
    C C10 0.3095(3) 0.7687(3) 0.12639(16) 0.0635(9) Uani d . 1 . .
    H H10A 0.3024 0.6904 0.1453 0.076 Uiso calc R 1 . .
    C C11 0.4491(2) 0.6544(2) -0.02111(13) 0.0446(7) Uani d . 1 . .
    H H11A 0.4259 0.5787 -0.0107 0.054 Uiso calc R 1 . .
    C C12 0.2865(2) 0.6628(2) -0.14923(13) 0.0415(7) Uani d . 1 . .
    C C13 0.2080(2) 0.5897(3) -0.18919(13) 0.0472(7) Uani d . 1 . .
    C C14 0.1923(3) 0.4695(3) -0.17684(17) 0.0728(10) Uani d . 1 . .
    H H14A 0.2330 0.4343 -0.1438 0.087 Uiso calc R 1 . .
    C C15 0.1170(4) 0.4019(4) -0.2132(2) 0.1002(14) Uani d . 1 . .
    H H15A 0.1066 0.3219 -0.2042 0.120 Uiso calc R 1 . .
    C C16 0.0573(4) 0.4516(4) -0.2626(2) 0.0946(14) Uani d . 1 . .
    H H16A 0.0068 0.4054 -0.2871 0.114 Uiso calc R 1 . .
    C C17 0.0722(3) 0.5680(4) -0.27547(18) 0.0857(12) Uani d . 1 . .
    H H17A 0.0321 0.6017 -0.3091 0.103 Uiso calc R 1 . .
    C C18 0.1470(3) 0.6381(3) -0.23874(16) 0.0684(10) Uani d . 1 . .
    H H18A 0.1557 0.7184 -0.2479 0.082 Uiso calc R 1 . .
    C C19 0.2800(2) 0.7972(2) -0.15642(13) 0.0428(7) Uani d . 1 . .
    C C20 0.3498(2) 0.8558(2) -0.19766(12) 0.0448(7) Uani d . 1 . .
    C C21 0.4513(3) 0.8071(3) -0.20809(14) 0.0540(8) Uani d . 1 . .
    H H21A 0.4752 0.7359 -0.1894 0.065 Uiso calc R 1 . .
    C C22 0.5174(3) 0.8636(3) -0.24611(15) 0.0652(9) Uani d . 1 . .
    H H22A 0.5863 0.8313 -0.2522 0.078 Uiso calc R 1 . .
    C C23 0.4819(3) 0.9672(3) -0.27498(15) 0.0696(10) Uani d . 1 . .
    H H23A 0.5258 1.0041 -0.3012 0.084 Uiso calc R 1 . .
    C C24 0.3808(3) 1.0163(3) -0.26499(15) 0.0691(10) Uani d . 1 . .
    H H24A 0.3567 1.0868 -0.2842 0.083 Uiso calc R 1 . .
    C C25 0.3159(3) 0.9614(3) -0.22684(14) 0.0577(8) Uani d . 1 . .
    H H25A 0.2479 0.9952 -0.2203 0.069 Uiso calc R 1 . .
    C C26 0.0737(2) 0.8480(3) -0.07148(13) 0.0492(8) Uani d . 1 . .
    H H26A 0.0592 0.9258 -0.0847 0.059 Uiso calc R 1 . .
    C C27 0.0044(2) 0.7947(3) -0.02987(14) 0.0523(8) Uani d . 1 . .
    C C28 0.0136(3) 0.6786(3) -0.00416(15) 0.0607(9) Uani d . 1 . .
    H H28A 0.0716 0.6199 -0.0102 0.073 Uiso calc R 1 . .
    C C29 -0.0744(3) 0.6617(4) 0.03121(16) 0.0770(11) Uani d . 1 . .
    H H29A -0.0888 0.5894 0.0538 0.092 Uiso calc R 1 . .
    C C30 -0.1393(3) 0.7673(4) 0.02782(17) 0.0799(11) Uani d . 1 . .
    H H30A -0.2069 0.7805 0.0475 0.096 Uiso calc R 1 . .
    C C31 -0.0912(3) 0.8499(3) -0.00967(16) 0.0644(9) Uani d . 1 . .
    H H31A -0.1188 0.9305 -0.0200 0.077 Uiso calc R 1 . .
    C C32 -0.1571(3) 0.5534(4) -0.11272(18) 0.0795(7) Uani d U 1 . .
    H H32A -0.1136 0.4792 -0.1104 0.095 Uiso calc R 1 . .
    C C33 -0.1355(3) 0.6562(4) -0.14493(16) 0.0738(11) Uani d . 1 . .
    H H33A -0.0730 0.6668 -0.1689 0.089 Uiso calc R 1 . .
    C C34 -0.2186(3) 0.7428(4) -0.13711(17) 0.0737(7) Uani d U 1 . .
    H H34A -0.2248 0.8229 -0.1549 0.088 Uiso calc R 1 . .
    C C35 -0.2901(3) 0.6914(3) -0.10068(18) 0.0751(6) Uani d U 1 . .
    H H35A -0.3556 0.7306 -0.0873 0.090 Uiso calc R 1 . .
    C C36 -0.2540(3) 0.5765(3) -0.08464(18) 0.0783(6) Uani d U 1 . .
    H H36A -0.2904 0.5209 -0.0591 0.094 Uiso calc R 1 . .
    N N1 0.42210(19) 0.69301(19) -0.07463(11) 0.0457(6) Uani d . 1 . .
    N N2 0.35405(19) 0.6108(2) -0.10960(11) 0.0440(6) Uani d . 1 . .
    N N3 0.21207(19) 0.8603(2) -0.12900(11) 0.0483(6) Uani d . 1 . .
    N N4 0.1543(2) 0.7907(2) -0.09042(12) 0.0520(6) Uani d . 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
    Fe1 C1 . 2.022(3) y
    Fe1 C2 . 2.028(3) y
    Fe1 C3 . 2.040(3) y
    Fe1 C4 . 2.044(3) y
    Fe1 C5 . 2.031(3) y
    Fe1 C6 . 2.028(3) y
    Fe1 C7 . 2.023(3) y
    Fe1 C8 . 2.026(3) y
    Fe1 C9 . 2.043(3) y
    Fe1 C10 . 2.036(3) y
    Fe2 C27 . 2.028(3) y
    Fe2 C28 . 2.028(3) y
    Fe2 C29 . 2.051(4) y
    Fe2 C30 . 2.052(4) y
    Fe2 C31 . 2.043(3) y
    Fe2 C32 . 2.042(4) y
    Fe2 C33 . 2.033(4) y
    Fe2 C34 . 2.044(4) y
    Fe2 C35 . 2.034(4) y
    Fe2 C36 . 2.029(4) y
    C11 N1 . 1.282(3) y
    C19 N3 . 1.287(3) y
    N1 N2 . 1.411(3) y
    C12 C19 . 1.514(4) y
    C12 N2 . 1.277(3) y
    C26 N4 . 1.275(3) y
    N3 N4 . 1.404(3) y
    C1 C2 . 1.423(4) ?
    C1 C5 . 1.428(4) ?
    C1 C11 . 1.445(4) ?
    C2 C3 . 1.406(4) ?
    C2 H2B . 0.9800 ?
    C3 C4 . 1.403(4) ?
    C3 H3B . 0.9800 ?
    C4 C5 . 1.419(4) ?
    C4 H4B . 0.9800 ?
    C5 H5A . 0.9800 ?
    C6 C7 . 1.398(5) ?
    C6 C10 . 1.403(5) ?
    C6 H6A . 0.9800 ?
    C7 C8 . 1.415(5) ?
    C7 H7A . 0.9800 ?
    C8 C9 . 1.396(5) ?
    C8 H8A . 0.9800 ?
    C9 C10 . 1.407(5) ?
    C9 H9A . 0.9800 ?
    C10 H10A . 0.9800 ?
    C11 H11A . 0.9300 ?
    C12 C13 . 1.477(4) ?
    C13 C18 . 1.374(4) ?
    C13 C14 . 1.390(4) ?
    C14 C15 . 1.378(5) ?
    C14 H14A . 0.9300 ?
    C15 C16 . 1.370(6) ?
    C15 H15A . 0.9300 ?
    C16 C17 . 1.350(6) ?
    C16 H16A . 0.9300 ?
    C17 C18 . 1.395(5) ?
    C17 H17A . 0.9300 ?
    C18 H18A . 0.9300 ?
    C19 C20 . 1.471(4) ?
    C20 C21 . 1.383(4) ?
    C20 C25 . 1.390(4) ?
    C21 C22 . 1.382(4) ?
    C21 H21A . 0.9300 ?
    C22 C23 . 1.373(5) ?
    C22 H22A . 0.9300 ?
    C23 C24 . 1.379(4) ?
    C23 H23A . 0.9300 ?
    C24 C25 . 1.366(4) ?
    C24 H24A . 0.9300 ?
    C25 H25A . 0.9300 ?
    C26 C27 . 1.447(4) ?
    C26 H26A . 0.9300 ?
    C27 C28 . 1.420(4) ?
    C27 C31 . 1.425(4) ?
    C28 C29 . 1.405(5) ?
    C28 H28A . 0.9800 ?
    C29 C30 . 1.415(5) ?
    C29 H29A . 0.9800 ?
    C30 C31 . 1.416(5) ?
    C30 H30A . 0.9800 ?
    C31 H31A . 0.9800 ?
    C32 C33 . 1.397(5) ?
    C32 C36 . 1.411(5) ?
    C32 H32A . 0.9800 ?
    C33 C34 . 1.418(5) ?
    C33 H33A . 0.9800 ?
    C34 C35 . 1.376(5) ?
    C34 H34A . 0.9800 ?
    C35 C36 . 1.392(5) ?
    C35 H35A . 0.9800 ?
    C36 H36A . 0.9800 ?
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
    C1 Fe1 C7 . . 120.56(14) ?
    C1 Fe1 C8 . . 156.30(14) ?
    C7 Fe1 C8 . . 40.90(14) ?
    C1 Fe1 C6 . . 107.50(13) ?
    C7 Fe1 C6 . . 40.39(13) ?
    C8 Fe1 C6 . . 68.06(15) ?
    C1 Fe1 C2 . . 41.14(11) ?
    C7 Fe1 C2 . . 106.39(14) ?
    C8 Fe1 C2 . . 120.56(14) ?
    C6 Fe1 C2 . . 123.93(14) ?
    C1 Fe1 C5 . . 41.25(11) ?
    C7 Fe1 C5 . . 157.01(15) ?
    C8 Fe1 C5 . . 160.92(15) ?
    C6 Fe1 C5 . . 122.26(14) ?
    C2 Fe1 C5 . . 69.06(12) ?
    C1 Fe1 C10 . . 124.89(13) ?
    C7 Fe1 C10 . . 68.02(14) ?
    C8 Fe1 C10 . . 67.78(14) ?
    C6 Fe1 C10 . . 40.37(13) ?
    C2 Fe1 C10 . . 161.23(14) ?
    C5 Fe1 C10 . . 108.65(14) ?
    C1 Fe1 C3 . . 68.51(12) ?
    C7 Fe1 C3 . . 123.67(14) ?
    C8 Fe1 C3 . . 107.38(14) ?
    C6 Fe1 C3 . . 160.30(14) ?
    C2 Fe1 C3 . . 40.46(11) ?
    C5 Fe1 C3 . . 68.32(12) ?
    C10 Fe1 C3 . . 157.53(14) ?
    C1 Fe1 C9 . . 161.86(14) ?
    C7 Fe1 C9 . . 68.15(15) ?
    C8 Fe1 C9 . . 40.12(13) ?
    C6 Fe1 C9 . . 67.91(14) ?
    C2 Fe1 C9 . . 156.10(14) ?
    C5 Fe1 C9 . . 125.06(14) ?
    C10 Fe1 C9 . . 40.36(13) ?
    C3 Fe1 C9 . . 121.82(14) ?
    C1 Fe1 C4 . . 68.73(12) ?
    C7 Fe1 C4 . . 160.32(15) ?
    C8 Fe1 C4 . . 124.13(15) ?
    C6 Fe1 C4 . . 158.17(14) ?
    C2 Fe1 C4 . . 68.27(13) ?
    C5 Fe1 C4 . . 40.74(12) ?
    C10 Fe1 C4 . . 122.96(14) ?
    C3 Fe1 C4 . . 40.19(12) ?
    C9 Fe1 C4 . . 108.60(14) ?
    C28 Fe2 C27 . . 41.00(12) ?
    C28 Fe2 C36 . . 131.68(15) ?
    C27 Fe2 C36 . . 170.50(14) ?
    C28 Fe2 C35 . . 170.35(14) ?
    C27 Fe2 C35 . . 147.92(14) ?
    C36 Fe2 C35 . . 40.06(13) ?
    C28 Fe2 C33 . . 117.07(14) ?
    C27 Fe2 C33 . . 109.08(14) ?
    C36 Fe2 C33 . . 67.43(15) ?
    C35 Fe2 C33 . . 66.84(15) ?
    C28 Fe2 C32 . . 109.28(14) ?
    C27 Fe2 C32 . . 131.18(13) ?
    C36 Fe2 C32 . . 40.56(14) ?
    C35 Fe2 C32 . . 67.48(15) ?
    C33 Fe2 C32 . . 40.09(14) ?
    C28 Fe2 C31 . . 68.52(13) ?
    C27 Fe2 C31 . . 40.97(11) ?
    C36 Fe2 C31 . . 147.90(14) ?
    C35 Fe2 C31 . . 116.27(14) ?
    C33 Fe2 C31 . . 131.46(16) ?
    C32 Fe2 C31 . . 170.12(15) ?
    C28 Fe2 C34 . . 149.07(14) ?
    C27 Fe2 C34 . . 116.04(15) ?
    C36 Fe2 C34 . . 67.59(16) ?
    C35 Fe2 C34 . . 39.44(14) ?
    C33 Fe2 C34 . . 40.70(14) ?
    C32 Fe2 C34 . . 68.19(16) ?
    C31 Fe2 C34 . . 108.40(16) ?
    C28 Fe2 C29 . . 40.30(13) ?
    C27 Fe2 C29 . . 68.53(14) ?
    C36 Fe2 C29 . . 109.54(16) ?
    C35 Fe2 C29 . . 132.00(16) ?
    C33 Fe2 C29 . . 148.84(17) ?
    C32 Fe2 C29 . . 116.81(16) ?
    C31 Fe2 C29 . . 68.23(16) ?
    C34 Fe2 C29 . . 169.40(15) ?
    C28 Fe2 C30 . . 67.90(15) ?
    C27 Fe2 C30 . . 68.42(14) ?
    C36 Fe2 C30 . . 116.59(16) ?
    C35 Fe2 C30 . . 109.77(16) ?
    C33 Fe2 C30 . . 170.00(18) ?
    C32 Fe2 C30 . . 148.66(18) ?
    C31 Fe2 C30 . . 40.45(15) ?
    C34 Fe2 C30 . . 130.77(17) ?
    C29 Fe2 C30 . . 40.34(15) ?
    C2 C1 C5 . . 107.6(3) ?
    C2 C1 C11 . . 126.8(3) ?
    C5 C1 C11 . . 125.2(3) ?
    C2 C1 Fe1 . . 69.63(16) ?
    C5 C1 Fe1 . . 69.72(16) ?
    C11 C1 Fe1 . . 120.59(19) ?
    C3 C2 C1 . . 107.8(3) ?
    C3 C2 Fe1 . . 70.23(17) ?
    C1 C2 Fe1 . . 69.23(16) ?
    C3 C2 H2B . . 126.1 ?
    C1 C2 H2B . . 126.1 ?
    Fe1 C2 H2B . . 126.1 ?
    C4 C3 C2 . . 108.8(3) ?
    C4 C3 Fe1 . . 70.08(17) ?
    C2 C3 Fe1 . . 69.31(16) ?
    C4 C3 H3B . . 125.6 ?
    C2 C3 H3B . . 125.6 ?
    Fe1 C3 H3B . . 125.6 ?
    C3 C4 C5 . . 108.2(3) ?
    C3 C4 Fe1 . . 69.74(17) ?
    C5 C4 Fe1 . . 69.15(17) ?
    C3 C4 H4B . . 125.9 ?
    C5 C4 H4B . . 125.9 ?
    Fe1 C4 H4B . . 125.9 ?
    C4 C5 C1 . . 107.5(3) ?
    C4 C5 Fe1 . . 70.11(16) ?
    C1 C5 Fe1 . . 69.03(15) ?
    C4 C5 H5A . . 126.3 ?
    C1 C5 H5A . . 126.3 ?
    Fe1 C5 H5A . . 126.3 ?
    C7 C6 C10 . . 108.3(3) ?
    C7 C6 Fe1 . . 69.59(18) ?
    C10 C6 Fe1 . . 70.13(19) ?
    C7 C6 H6A . . 125.8 ?
    C10 C6 H6A . . 125.8 ?
    Fe1 C6 H6A . . 125.8 ?
    C6 C7 C8 . . 107.5(3) ?
    C6 C7 Fe1 . . 70.02(19) ?
    C8 C7 Fe1 . . 69.68(18) ?
    C6 C7 H7A . . 126.2 ?
    C8 C7 H7A . . 126.2 ?
    Fe1 C7 H7A . . 126.2 ?
    C9 C8 C7 . . 108.3(3) ?
    C9 C8 Fe1 . . 70.60(19) ?
    C7 C8 Fe1 . . 69.42(19) ?
    C9 C8 H8A . . 125.9 ?
    C7 C8 H8A . . 125.9 ?
    Fe1 C8 H8A . . 125.9 ?
    C8 C9 C10 . . 107.8(3) ?
    C8 C9 Fe1 . . 69.28(19) ?
    C10 C9 Fe1 . . 69.56(18) ?
    C8 C9 H9A . . 126.1 ?
    C10 C9 H9A . . 126.1 ?
    Fe1 C9 H9A . . 126.1 ?
    C6 C10 C9 . . 108.1(3) ?
    C6 C10 Fe1 . . 69.50(19) ?
    C9 C10 Fe1 . . 70.08(18) ?
    C6 C10 H10A . . 126.0 ?
    C9 C10 H10A . . 126.0 ?
    Fe1 C10 H10A . . 126.0 ?
    N1 C11 C1 . . 121.5(3) ?
    N1 C11 H11A . . 119.3 ?
    C1 C11 H11A . . 119.3 ?
    N2 C12 C13 . . 119.2(3) ?
    N2 C12 C19 . . 123.2(2) ?
    C13 C12 C19 . . 117.6(2) ?
    C18 C13 C14 . . 118.0(3) ?
    C18 C13 C12 . . 121.5(3) ?
    C14 C13 C12 . . 120.5(3) ?
    C15 C14 C13 . . 120.5(4) ?
    C15 C14 H14A . . 119.7 ?
    C13 C14 H14A . . 119.7 ?
    C16 C15 C14 . . 120.7(4) ?
    C16 C15 H15A . . 119.7 ?
    C14 C15 H15A . . 119.7 ?
    C17 C16 C15 . . 119.5(4) ?
    C17 C16 H16A . . 120.2 ?
    C15 C16 H16A . . 120.2 ?
    C16 C17 C18 . . 120.6(4) ?
    C16 C17 H17A . . 119.7 ?
    C18 C17 H17A . . 119.7 ?
    C13 C18 C17 . . 120.6(4) ?
    C13 C18 H18A . . 119.7 ?
    C17 C18 H18A . . 119.7 ?
    N3 C19 C20 . . 119.6(2) ?
    N3 C19 C12 . . 121.5(3) ?
    C20 C19 C12 . . 118.8(2) ?
    C21 C20 C25 . . 118.4(3) ?
    C21 C20 C19 . . 120.6(3) ?
    C25 C20 C19 . . 121.0(3) ?
    C22 C21 C20 . . 120.4(3) ?
    C22 C21 H21A . . 119.8 ?
    C20 C21 H21A . . 119.8 ?
    C23 C22 C21 . . 120.3(3) ?
    C23 C22 H22A . . 119.8 ?
    C21 C22 H22A . . 119.8 ?
    C22 C23 C24 . . 119.8(3) ?
    C22 C23 H23A . . 120.1 ?
    C24 C23 H23A . . 120.1 ?
    C25 C24 C23 . . 120.0(3) ?
    C25 C24 H24A . . 120.0 ?
    C23 C24 H24A . . 120.0 ?
    C24 C25 C20 . . 121.2(3) ?
    C24 C25 H25A . . 119.4 ?
    C20 C25 H25A . . 119.4 ?
    N4 C26 C27 . . 121.5(3) ?
    N4 C26 H26A . . 119.2 ?
    C27 C26 H26A . . 119.2 ?
    C28 C27 C31 . . 107.3(3) ?
    C28 C27 C26 . . 127.8(3) ?
    C31 C27 C26 . . 124.8(3) ?
    C28 C27 Fe2 . . 69.52(18) ?
    C31 C27 Fe2 . . 70.09(18) ?
    C26 C27 Fe2 . . 123.3(2) ?
    C29 C28 C27 . . 108.7(3) ?
    C29 C28 Fe2 . . 70.72(19) ?
    C27 C28 Fe2 . . 69.48(18) ?
    C29 C28 H28A . . 125.6 ?
    C27 C28 H28A . . 125.6 ?
    Fe2 C28 H28A . . 125.6 ?
    C28 C29 C30 . . 107.8(3) ?
    C28 C29 Fe2 . . 68.97(19) ?
    C30 C29 Fe2 . . 69.9(2) ?
    C28 C29 H29A . . 126.1 ?
    C30 C29 H29A . . 126.1 ?
    Fe2 C29 H29A . . 126.1 ?
    C29 C30 C31 . . 108.4(3) ?
    C29 C30 Fe2 . . 69.8(2) ?
    C31 C30 Fe2 . . 69.4(2) ?
    C29 C30 H30A . . 125.8 ?
    C31 C30 H30A . . 125.8 ?
    Fe2 C30 H30A . . 125.8 ?
    C30 C31 C27 . . 107.7(3) ?
    C30 C31 Fe2 . . 70.1(2) ?
    C27 C31 Fe2 . . 68.94(18) ?
    C30 C31 H31A . . 126.2 ?
    C27 C31 H31A . . 126.2 ?
    Fe2 C31 H31A . . 126.2 ?
    C33 C32 C36 . . 106.8(4) ?
    C33 C32 Fe2 . . 69.6(2) ?
    C36 C32 Fe2 . . 69.2(2) ?
    C33 C32 H32A . . 126.6 ?
    C36 C32 H32A . . 126.6 ?
    Fe2 C32 H32A . . 126.6 ?
    C32 C33 C34 . . 108.9(3) ?
    C32 C33 Fe2 . . 70.3(2) ?
    C34 C33 Fe2 . . 70.1(2) ?
    C32 C33 H33A . . 125.5 ?
    C34 C33 H33A . . 125.5 ?
    Fe2 C33 H33A . . 125.5 ?
    C35 C34 C33 . . 106.6(4) ?
    C35 C34 Fe2 . . 69.9(2) ?
    C33 C34 Fe2 . . 69.2(2) ?
    C35 C34 H34A . . 126.7 ?
    C33 C34 H34A . . 126.7 ?
    Fe2 C34 H34A . . 126.7 ?
    C34 C35 C36 . . 109.9(4) ?
    C34 C35 Fe2 . . 70.7(2) ?
    C36 C35 Fe2 . . 69.8(2) ?
    C34 C35 H35A . . 125.0 ?
    C36 C35 H35A . . 125.0 ?
    Fe2 C35 H35A . . 125.0 ?
    C35 C36 C32 . . 107.7(4) ?
    C35 C36 Fe2 . . 70.1(2) ?
    C32 C36 Fe2 . . 70.2(2) ?
    C35 C36 H36A . . 126.1 ?
    C32 C36 H36A . . 126.1 ?
    Fe2 C36 H36A . . 126.1 ?
    C11 N1 N2 . . 111.9(2) ?
    C12 N2 N1 . . 112.2(2) ?
    C19 N3 N4 . . 112.0(2) ?
    C26 N4 N3 . . 112.0(2) ?
