# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p-1_a
_database_code_depnum_ccdc_archive 'CCDC 1964462'
loop_
_audit_author_name
_audit_author_address
'Haomiao Xie'
;Texas AM University
United States of America
;
_audit_update_record             
;
2019-11-08 deposited with the CCDC.	2020-05-07 downloaded from the CCDC.
;
_audit_creation_date             2018-08-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C50 H38 Fe2 N6 Zn, 2(C12 H4 N4)'
_chemical_formula_sum            'C74 H46 Fe2 N14 Zn'
_chemical_formula_weight         1308.32
_chemical_melting_point          ?
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'
Fe Fe 0.3463 0.8444 '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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.0660(11)
_cell_length_b                   12.6424(12)
_cell_length_c                   20.0374(19)
_cell_angle_alpha                88.123(5)
_cell_angle_beta                 84.111(5)
_cell_angle_gamma                71.623(5)
_cell_volume                     2885.4(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9774
_cell_measurement_temperature    110
_cell_measurement_theta_max      24.296
_cell_measurement_theta_min      2.361
_shelx_estimated_absorpt_T_max   0.953
_shelx_estimated_absorpt_T_min   0.830
_exptl_absorpt_coefficient_mu    0.970
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6258
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1114 before and 0.0670 after correction. The Ratio of minimum to maximum transmission is 0.8393. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark violet'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1340
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0866
_diffrn_reflns_av_unetI/netI     0.0772
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            80239
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.690
_diffrn_reflns_theta_min         1.022
_diffrn_ambient_temperature      110
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8758
_reflns_number_total             13308
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.538
_refine_diff_density_min         -0.630
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     820
_refine_ls_number_reflns         13308
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0854
_refine_ls_R_factor_gt           0.0455
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0500P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1158
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C19(H19), C22(H22), C16(H16), C7(H7), C12(H12), C24(H24), C56(H56), C42(H42),
 C69(H69), C35(H35), C45(H45), C55(H55), C18(H18), C44(H44), C58(H58), C68(H68),
  C43(H43), C4(H4), C30(H30), C59(H59), C9(H9), C67(H67), C70(H70), C17(H17),
 C2(H2), C29(H29), C39(H39), C50(H50), C15(H15), C40(H40), C1(H1), C33(H33),
 C38(H38), C32(H32), C14(H14), C13(H13), C47(H47), C34(H34), C28(H28), C36(H36),
  C48(H48), C3(H3), C27(H27), C37(H37), C46(H46), C49(H49)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.46436(3) 0.89910(3) 0.77765(2) 0.01848(9) Uani 1 1 d . . . . .
Fe1 Fe 0.68443(3) 1.21297(3) 0.50933(2) 0.01907(11) Uani 1 1 d . . . . .
Fe2 Fe 0.45122(4) 0.30606(3) 0.90034(2) 0.01954(11) Uani 1 1 d . . . . .
N2 N 0.50092(19) 1.03396(17) 0.73026(11) 0.0180(5) Uani 1 1 d . . . . .
N4 N 0.55446(19) 0.78806(18) 0.69010(12) 0.0182(5) Uani 1 1 d . . . . .
N1 N 0.43652(19) 0.74787(17) 0.79927(11) 0.0178(5) Uani 1 1 d . . . . .
N5 N 0.63134(19) 0.89772(18) 0.81217(11) 0.0191(5) Uani 1 1 d . . . . .
N6 N 0.3042(2) 0.99000(18) 0.73224(12) 0.0190(5) Uani 1 1 d . . . . .
N3 N 0.36975(19) 0.92355(18) 0.87717(11) 0.0187(5) Uani 1 1 d . . . . .
N13 N -0.1014(2) 0.9462(2) 0.62984(13) 0.0290(6) Uani 1 1 d . . . . .
N12 N -0.1749(2) 0.2421(2) 0.74498(13) 0.0323(7) Uani 1 1 d . . . . .
C21 C 0.4283(2) 1.0946(2) 0.68680(14) 0.0172(6) Uani 1 1 d . . . . .
N8 N -0.0041(2) 0.0731(2) 0.87706(13) 0.0340(7) Uani 1 1 d . . . . .
C6 C 0.3692(2) 0.7385(2) 0.85560(14) 0.0178(6) Uani 1 1 d . . . . .
C19 C 0.2261(2) 1.1246(2) 0.64896(14) 0.0208(6) Uani 1 1 d . . . . .
H19 H 0.2358 1.1793 0.6173 0.025 Uiso 1 1 calc R . . . .
N14 N -0.0251(2) 0.7086(2) 0.46204(14) 0.0354(7) Uani 1 1 d . . . . .
C25 C 0.6060(2) 1.0479(2) 0.73345(14) 0.0162(6) Uani 1 1 d . . . . .
C23 C 0.5691(2) 1.1876(2) 0.64731(14) 0.0182(6) Uani 1 1 d . . . . .
C26 C 0.6788(2) 0.9731(2) 0.78290(14) 0.0168(6) Uani 1 1 d . . . . .
C20 C 0.3156(2) 1.0699(2) 0.68815(14) 0.0177(6) Uani 1 1 d . . . . .
N11 N -0.2981(2) 0.5283(2) 0.88468(14) 0.0395(7) Uani 1 1 d . . . . .
C41 C 0.6071(2) 1.2646(2) 0.60238(14) 0.0190(6) Uani 1 1 d . . . . .
C22 C 0.4594(2) 1.1726(2) 0.64523(14) 0.0193(6) Uani 1 1 d . . . . .
H22 H 0.4064 1.2157 0.6154 0.023 Uiso 1 1 calc R . . . .
C16 C 0.2035(2) 0.9656(2) 0.73943(15) 0.0210(6) Uani 1 1 d . . . . .
H16 H 0.1959 0.9097 0.7707 0.025 Uiso 1 1 calc R . . . .
C11 C 0.5475(2) 0.6835(2) 0.69474(14) 0.0188(6) Uani 1 1 d . . . . .
C71 C -0.1497(2) 0.5144(2) 0.72559(14) 0.0192(6) Uani 1 1 d . . . . .
C57 C 0.0215(2) 0.3426(2) 0.85322(15) 0.0217(7) Uani 1 1 d . . . . .
C7 C 0.3474(2) 0.6400(2) 0.87267(15) 0.0212(7) Uani 1 1 d . . . . .
H7 H 0.2997 0.6352 0.9127 0.025 Uiso 1 1 calc R . . . .
C10 C 0.4820(2) 0.6606(2) 0.75737(14) 0.0185(6) Uani 1 1 d . . . . .
C12 C 0.5941(2) 0.6063(2) 0.64337(15) 0.0223(7) Uani 1 1 d . . . . .
H12 H 0.5886 0.5330 0.6480 0.027 Uiso 1 1 calc R . . . .
C24 C 0.6427(2) 1.1228(2) 0.69301(14) 0.0185(6) Uani 1 1 d . . . . .
H24 H 0.7179 1.1305 0.6961 0.022 Uiso 1 1 calc R . . . .
C56 C 0.0148(2) 0.4541(2) 0.86746(15) 0.0239(7) Uani 1 1 d . . . . .
H56 H -0.0186 0.4850 0.9103 0.029 Uiso 1 1 calc R . . . .
C42 C 0.5410(2) 1.3327(2) 0.55199(14) 0.0212(6) Uani 1 1 d . . . . .
H42 H 0.4614 1.3423 0.5460 0.025 Uiso 1 1 calc R . . . .
C69 C -0.0991(2) 0.4805(2) 0.65949(14) 0.0210(6) Uani 1 1 d . . . . .
H69 H -0.0877 0.4065 0.6454 0.025 Uiso 1 1 calc R . . . .
C35 C 0.2910(2) 0.4236(2) 0.89965(16) 0.0254(7) Uani 1 1 d . . . . .
H35 H 0.2527 0.4740 0.9352 0.031 Uiso 1 1 calc R . . . .
C45 C 0.7230(2) 1.2749(2) 0.59287(14) 0.0214(6) Uani 1 1 d . . . . .
H45 H 0.7863 1.2388 0.6186 0.026 Uiso 1 1 calc R . . . .
C5 C 0.3223(2) 0.8424(2) 0.89606(14) 0.0179(6) Uani 1 1 d . . . . .
C55 C 0.0553(2) 0.5170(2) 0.82090(15) 0.0236(7) Uani 1 1 d . . . . .
H55 H 0.0505 0.5908 0.8321 0.028 Uiso 1 1 calc R . . . .
C18 C 0.1226(2) 1.0981(2) 0.65673(15) 0.0235(7) Uani 1 1 d . . . . .
H18 H 0.0605 1.1345 0.6303 0.028 Uiso 1 1 calc R . . . .
C44 C 0.7263(3) 1.3484(2) 0.53844(15) 0.0246(7) Uani 1 1 d . . . . .
H44 H 0.7920 1.3709 0.5218 0.029 Uiso 1 1 calc R . . . .
C58 C 0.0688(2) 0.3018(2) 0.78784(14) 0.0210(6) Uani 1 1 d . . . . .
H58 H 0.0728 0.2284 0.7762 0.025 Uiso 1 1 calc R . . . .
C68 C -0.0667(2) 0.5531(2) 0.61613(14) 0.0197(6) Uani 1 1 d . . . . .
H68 H -0.0334 0.5286 0.5721 0.024 Uiso 1 1 calc R . . . .
C65 C -0.0629(2) 0.7461(2) 0.58849(15) 0.0223(7) Uani 1 1 d . . . . .
C43 C 0.6150(3) 1.3829(2) 0.51299(15) 0.0245(7) Uani 1 1 d . . . . .
H43 H 0.5939 1.4315 0.4760 0.029 Uiso 1 1 calc R . . . .
C4 C 0.2367(2) 0.8561(2) 0.94941(14) 0.0227(7) Uani 1 1 d . . . . .
H4 H 0.2038 0.7984 0.9615 0.027 Uiso 1 1 calc R . . . .
C30 C 0.6915(2) 0.8263(2) 0.85693(14) 0.0215(7) Uani 1 1 d . . . . .
H30 H 0.6577 0.7740 0.8784 0.026 Uiso 1 1 calc R . . . .
C54 C 0.1049(2) 0.4753(2) 0.75562(15) 0.0216(7) Uani 1 1 d . . . . .
C59 C 0.1084(2) 0.3652(2) 0.74171(15) 0.0239(7) Uani 1 1 d . . . . .
H59 H 0.1395 0.3348 0.6985 0.029 Uiso 1 1 calc R . . . .
C9 C 0.4645(2) 0.5595(2) 0.77265(14) 0.0214(7) Uani 1 1 d . . . . .
H9 H 0.4995 0.4979 0.7433 0.026 Uiso 1 1 calc R . . . .
C31 C 0.3686(3) 0.4432(2) 0.84520(15) 0.0234(7) Uani 1 1 d . . . . .
C67 C -0.1254(2) 0.6949(2) 0.70210(14) 0.0216(7) Uani 1 1 d . . . . .
H67 H -0.1315 0.7671 0.7174 0.026 Uiso 1 1 calc R . . . .
C72 C -0.1916(2) 0.4445(2) 0.77142(15) 0.0233(7) Uani 1 1 d . . . . .
C70 C -0.1591(2) 0.6237(2) 0.74515(15) 0.0229(7) Uani 1 1 d . . . . .
H70 H -0.1899 0.6477 0.7896 0.028 Uiso 1 1 calc R . . . .
C74 C -0.1830(2) 0.3330(3) 0.75660(15) 0.0228(7) Uani 1 1 d . . . . .
C17 C 0.1102(3) 1.0186(2) 0.70312(15) 0.0232(7) Uani 1 1 d . . . . .
H17 H 0.0390 1.0008 0.7099 0.028 Uiso 1 1 calc R . . . .
C2 C 0.2497(3) 1.0371(2) 0.96684(15) 0.0247(7) Uani 1 1 d . . . . .
H2 H 0.2265 1.1052 0.9910 0.030 Uiso 1 1 calc R . . . .
C29 C 0.8003(2) 0.8260(2) 0.87284(15) 0.0233(7) Uani 1 1 d . . . . .
H29 H 0.8416 0.7734 0.9038 0.028 Uiso 1 1 calc R . . . .
C39 C 0.4965(3) 0.2031(2) 0.97997(14) 0.0237(7) Uani 1 1 d . . . . .
H39 H 0.4485 0.1653 1.0043 0.028 Uiso 1 1 calc R . . . .
C8 C 0.3959(2) 0.5471(2) 0.83071(15) 0.0202(6) Uani 1 1 d . . . . .
C50 C 0.8237(3) 1.0758(2) 0.48097(15) 0.0257(7) Uani 1 1 d . . . . .
H50 H 0.8976 1.0525 0.4988 0.031 Uiso 1 1 calc R . . . .
C60 C -0.0099(3) 0.2729(2) 0.90325(15) 0.0235(7) Uani 1 1 d . . . . .
C15 C 0.6089(2) 0.8158(2) 0.63398(14) 0.0218(7) Uani 1 1 d . . . . .
H15 H 0.6156 0.8887 0.6308 0.026 Uiso 1 1 calc R . . . .
C40 C 0.5004(3) 0.3106(2) 0.99432(15) 0.0251(7) Uani 1 1 d . . . . .
H40 H 0.4554 0.3578 1.0299 0.030 Uiso 1 1 calc R . . . .
C63 C -0.0840(2) 0.8574(2) 0.61062(15) 0.0221(7) Uani 1 1 d . . . . .
C1 C 0.3340(3) 1.0180(2) 0.91295(15) 0.0230(7) Uani 1 1 d . . . . .
H1 H 0.3685 1.0746 0.9005 0.028 Uiso 1 1 calc R . . . .
C33 C 0.3528(3) 0.2689(2) 0.83283(16) 0.0310(8) Uani 1 1 d . . . . .
H33 H 0.3622 0.1974 0.8153 0.037 Uiso 1 1 calc R . . . .
C38 C 0.5768(3) 0.1616(2) 0.92290(15) 0.0270(7) Uani 1 1 d . . . . .
H38 H 0.5922 0.0910 0.9025 0.032 Uiso 1 1 calc R . . . .
C32 C 0.4077(3) 0.3453(2) 0.80471(15) 0.0289(8) Uani 1 1 d . . . . .
H32 H 0.4616 0.3336 0.7655 0.035 Uiso 1 1 calc R . . . .
C66 C -0.0812(2) 0.6649(2) 0.63490(15) 0.0217(7) Uani 1 1 d . . . . .
C14 C 0.6558(2) 0.7446(2) 0.58060(15) 0.0246(7) Uani 1 1 d . . . . .
H14 H 0.6925 0.7683 0.5413 0.030 Uiso 1 1 calc R . . . .
C13 C 0.6483(2) 0.6375(2) 0.58565(15) 0.0252(7) Uani 1 1 d . . . . .
H13 H 0.6801 0.5861 0.5498 0.030 Uiso 1 1 calc R . . . .
C62 C -0.0073(3) 0.1624(3) 0.88883(15) 0.0256(7) Uani 1 1 d . . . . .
C47 C 0.6334(3) 1.0957(2) 0.46462(15) 0.0273(7) Uani 1 1 d . . . . .
H47 H 0.5569 1.0886 0.4693 0.033 Uiso 1 1 calc R . . . .
N7 N -0.0626(3) 0.3324(2) 1.02683(15) 0.0463(8) Uani 1 1 d . . . . .
C34 C 0.2814(3) 0.3163(2) 0.89139(17) 0.0294(8) Uani 1 1 d . . . . .
H34 H 0.2351 0.2821 0.9202 0.035 Uiso 1 1 calc R . . . .
C73 C -0.2500(3) 0.4885(2) 0.83487(16) 0.0267(7) Uani 1 1 d . . . . .
C28 C 0.8475(3) 0.9038(2) 0.84277(15) 0.0245(7) Uani 1 1 d . . . . .
H28 H 0.9220 0.9058 0.8531 0.029 Uiso 1 1 calc R . . . .
C36 C 0.5830(3) 0.3355(3) 0.94627(16) 0.0296(8) Uani 1 1 d . . . . .
H36 H 0.6036 0.4022 0.9441 0.036 Uiso 1 1 calc R . . . .
C64 C -0.0401(3) 0.7250(2) 0.51849(17) 0.0255(7) Uani 1 1 d . . . . .
N10 N 0.2489(3) 0.4531(3) 0.59240(16) 0.0483(8) Uani 1 1 d . . . . .
C61 C -0.0413(3) 0.3067(3) 0.97103(17) 0.0305(8) Uani 1 1 d . . . . .
C48 C 0.6765(3) 1.1603(2) 0.41562(15) 0.0294(8) Uani 1 1 d . . . . .
H48 H 0.6337 1.2042 0.3818 0.035 Uiso 1 1 calc R . . . .
C3 C 0.1997(3) 0.9550(2) 0.98492(15) 0.0255(7) Uani 1 1 d . . . . .
H3 H 0.1405 0.9663 1.0214 0.031 Uiso 1 1 calc R . . . .
C52 C 0.1506(3) 0.5381(2) 0.70754(17) 0.0295(8) Uani 1 1 d . . . . .
C27 C 0.7861(2) 0.9789(2) 0.79747(14) 0.0213(7) Uani 1 1 d . . . . .
H27 H 0.8171 1.0336 0.7768 0.026 Uiso 1 1 calc R . . . .
C37 C 0.6298(3) 0.2433(3) 0.90182(16) 0.0310(8) Uani 1 1 d . . . . .
H37 H 0.6867 0.2377 0.8645 0.037 Uiso 1 1 calc R . . . .
C46 C 0.7247(3) 1.0439(2) 0.50510(15) 0.0265(7) Uani 1 1 d . . . . .
H46 H 0.7203 0.9959 0.5421 0.032 Uiso 1 1 calc R . . . .
C49 C 0.7938(3) 1.1483(2) 0.42569(15) 0.0289(7) Uani 1 1 d . . . . .
H49 H 0.8437 1.1827 0.4000 0.035 Uiso 1 1 calc R . . . .
N9 N 0.1534(3) 0.7325(3) 0.73693(17) 0.0581(10) Uani 1 1 d . . . . .
C53 C 0.2049(3) 0.4933(3) 0.64350(18) 0.0338(8) Uani 1 1 d . . . . .
C51 C 0.1520(3) 0.6459(3) 0.72274(18) 0.0379(9) Uani 1 1 d . . . . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 N2 2.070(2) . ?
Zn1 N4 2.245(2) . ?
Zn1 N1 2.068(2) . ?
Zn1 N5 2.191(2) . ?
Zn1 N6 2.186(2) . ?
Zn1 N3 2.174(2) . ?
Fe1 C41 2.028(3) . ?
Fe1 C42 2.036(3) . ?
Fe1 C45 2.027(3) . ?
Fe1 C44 2.049(3) . ?
Fe1 C43 2.046(3) . ?
Fe1 C50 2.046(3) . ?
Fe1 C47 2.038(3) . ?
Fe1 C48 2.034(3) . ?
Fe1 C46 2.040(3) . ?
Fe1 C49 2.043(3) . ?
Fe2 C35 2.034(3) . ?
Fe2 C31 2.057(3) . ?
Fe2 C39 2.033(3) . ?
Fe2 C40 2.039(3) . ?
Fe2 C33 2.045(3) . ?
Fe2 C38 2.044(3) . ?
Fe2 C32 2.043(3) . ?
Fe2 C34 2.038(3) . ?
Fe2 C36 2.052(3) . ?
Fe2 C37 2.051(3) . ?
N2 C21 1.343(3) . ?
N2 C25 1.342(3) . ?
N4 C11 1.351(3) . ?
N4 C15 1.337(3) . ?
N1 C6 1.346(3) . ?
N1 C10 1.345(3) . ?
N5 C26 1.349(3) . ?
N5 C30 1.347(3) . ?
N6 C20 1.351(3) . ?
N6 C16 1.337(3) . ?
N3 C5 1.350(3) . ?
N3 C1 1.340(3) . ?
N13 C63 1.147(3) . ?
N12 C74 1.152(4) . ?
C21 C20 1.485(4) . ?
C21 C22 1.386(4) . ?
N8 C62 1.148(4) . ?
C6 C7 1.377(4) . ?
C6 C5 1.486(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.389(4) . ?
C19 C18 1.384(4) . ?
N14 C64 1.142(4) . ?
C25 C26 1.497(4) . ?
C25 C24 1.375(4) . ?
C23 C41 1.452(4) . ?
C23 C22 1.400(4) . ?
C23 C24 1.399(4) . ?
C26 C27 1.380(4) . ?
N11 C73 1.147(4) . ?
C41 C42 1.439(4) . ?
C41 C45 1.438(4) . ?
C22 H22 0.9500 . ?
C16 H16 0.9500 . ?
C16 C17 1.381(4) . ?
C11 C10 1.483(4) . ?
C11 C12 1.389(4) . ?
C71 C69 1.420(4) . ?
C71 C72 1.419(4) . ?
C71 C70 1.416(4) . ?
C57 C56 1.423(4) . ?
C57 C58 1.419(4) . ?
C57 C60 1.415(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.400(4) . ?
C10 C9 1.380(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.378(4) . ?
C24 H24 0.9500 . ?
C56 H56 0.9500 . ?
C56 C55 1.358(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.411(4) . ?
C69 H69 0.9500 . ?
C69 C68 1.362(4) . ?
C35 H35 0.9500 . ?
C35 C31 1.430(4) . ?
C35 C34 1.414(4) . ?
C45 H45 0.9500 . ?
C45 C44 1.415(4) . ?
C5 C4 1.383(4) . ?
C55 H55 0.9500 . ?
C55 C54 1.426(4) . ?
C18 H18 0.9500 . ?
C18 C17 1.379(4) . ?
C44 H44 0.9500 . ?
C44 C43 1.417(4) . ?
C58 H58 0.9500 . ?
C58 C59 1.351(4) . ?
C68 H68 0.9500 . ?
C68 C66 1.426(4) . ?
C65 C63 1.426(4) . ?
C65 C66 1.416(4) . ?
C65 C64 1.419(4) . ?
C43 H43 0.9500 . ?
C4 H4 0.9500 . ?
C4 C3 1.382(4) . ?
C30 H30 0.9500 . ?
C30 C29 1.382(4) . ?
C54 C59 1.416(4) . ?
C54 C52 1.407(4) . ?
C59 H59 0.9500 . ?
C9 H9 0.9500 . ?
C9 C8 1.391(4) . ?
C31 C8 1.464(4) . ?
C31 C32 1.426(4) . ?
C67 H67 0.9500 . ?
C67 C70 1.352(4) . ?
C67 C66 1.414(4) . ?
C72 C74 1.420(4) . ?
C72 C73 1.427(4) . ?
C70 H70 0.9500 . ?
C17 H17 0.9500 . ?
C2 H2 0.9500 . ?
C2 C1 1.377(4) . ?
C2 C3 1.376(4) . ?
C29 H29 0.9500 . ?
C29 C28 1.378(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.415(4) . ?
C39 C38 1.419(4) . ?
C50 H50 0.9500 . ?
C50 C46 1.413(4) . ?
C50 C49 1.416(4) . ?
C60 C62 1.425(4) . ?
C60 C61 1.415(4) . ?
C15 H15 0.9500 . ?
C15 C14 1.376(4) . ?
C40 H40 0.9500 . ?
C40 C36 1.415(4) . ?
C1 H1 0.9500 . ?
C33 H33 0.9500 . ?
C33 C32 1.406(4) . ?
C33 C34 1.411(4) . ?
C38 H38 0.9500 . ?
C38 C37 1.409(4) . ?
C32 H32 0.9500 . ?
C14 H14 0.9500 . ?
C14 C13 1.385(4) . ?
C13 H13 0.9500 . ?
C47 H47 0.9500 . ?
C47 C48 1.418(4) . ?
C47 C46 1.412(4) . ?
N7 C61 1.155(4) . ?
C34 H34 0.9500 . ?
C28 H28 0.9500 . ?
C28 C27 1.384(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.422(4) . ?
N10 C53 1.158(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.410(4) . ?
C3 H3 0.9500 . ?
C52 C53 1.427(5) . ?
C52 C51 1.412(4) . ?
C27 H27 0.9500 . ?
C37 H37 0.9500 . ?
C46 H46 0.9500 . ?
C49 H49 0.9500 . ?
N9 C51 1.146(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Zn1 N4 91.21(9) . . ?
N2 Zn1 N5 75.22(9) . . ?
N2 Zn1 N6 75.24(9) . . ?
N2 Zn1 N3 118.36(9) . . ?
N1 Zn1 N2 164.72(9) . . ?
N1 Zn1 N4 74.37(9) . . ?
N1 Zn1 N5 109.79(8) . . ?
N1 Zn1 N6 101.23(8) . . ?
N1 Zn1 N3 76.21(9) . . ?
N5 Zn1 N4 92.48(8) . . ?
N6 Zn1 N4 97.57(8) . . ?
N6 Zn1 N5 148.93(9) . . ?
N3 Zn1 N4 150.43(9) . . ?
N3 Zn1 N5 94.65(8) . . ?
N3 Zn1 N6 90.94(8) . . ?
C41 Fe1 C42 41.49(11) . . ?
C41 Fe1 C44 68.96(12) . . ?
C41 Fe1 C43 69.07(11) . . ?
C41 Fe1 C50 129.63(11) . . ?
C41 Fe1 C47 117.30(12) . . ?
C41 Fe1 C48 150.50(12) . . ?
C41 Fe1 C46 108.45(12) . . ?
C41 Fe1 C49 167.89(12) . . ?
C42 Fe1 C44 68.30(12) . . ?
C42 Fe1 C43 40.44(11) . . ?
C42 Fe1 C50 169.76(12) . . ?
C42 Fe1 C47 109.88(12) . . ?
C42 Fe1 C46 131.61(12) . . ?
C42 Fe1 C49 149.11(12) . . ?
C45 Fe1 C41 41.56(11) . . ?
C45 Fe1 C42 69.36(12) . . ?
C45 Fe1 C44 40.63(11) . . ?
C45 Fe1 C43 68.74(12) . . ?
C45 Fe1 C50 107.05(12) . . ?
C45 Fe1 C47 149.78(12) . . ?
C45 Fe1 C48 167.27(12) . . ?
C45 Fe1 C46 116.18(12) . . ?
C45 Fe1 C49 128.30(12) . . ?
C43 Fe1 C44 40.50(11) . . ?
C50 Fe1 C44 115.68(12) . . ?
C50 Fe1 C43 148.32(12) . . ?
C47 Fe1 C44 169.15(12) . . ?
C47 Fe1 C43 131.34(12) . . ?
C47 Fe1 C50 68.07(12) . . ?
C47 Fe1 C46 40.52(11) . . ?
C47 Fe1 C49 68.41(13) . . ?
C48 Fe1 C42 117.58(12) . . ?
C48 Fe1 C44 129.69(13) . . ?
C48 Fe1 C43 108.93(12) . . ?
C48 Fe1 C50 67.94(12) . . ?
C48 Fe1 C47 40.77(12) . . ?
C48 Fe1 C46 68.22(12) . . ?
C48 Fe1 C49 40.45(12) . . ?
C46 Fe1 C44 148.50(12) . . ?
C46 Fe1 C43 170.18(12) . . ?
C46 Fe1 C50 40.45(12) . . ?
C46 Fe1 C49 68.31(13) . . ?
C49 Fe1 C44 107.32(13) . . ?
C49 Fe1 C43 116.12(12) . . ?
C49 Fe1 C50 40.52(11) . . ?
C35 Fe2 C31 40.92(12) . . ?
C35 Fe2 C40 105.75(12) . . ?
C35 Fe2 C33 68.12(12) . . ?
C35 Fe2 C38 159.54(12) . . ?
C35 Fe2 C32 68.60(13) . . ?
C35 Fe2 C34 40.64(11) . . ?
C35 Fe2 C36 121.07(12) . . ?
C35 Fe2 C37 157.64(12) . . ?
C39 Fe2 C35 122.17(12) . . ?
C39 Fe2 C31 160.57(12) . . ?
C39 Fe2 C40 40.67(11) . . ?
C39 Fe2 C33 119.16(12) . . ?
C39 Fe2 C38 40.73(11) . . ?
C39 Fe2 C32 155.32(12) . . ?
C39 Fe2 C34 104.55(12) . . ?
C39 Fe2 C36 68.11(12) . . ?
C39 Fe2 C37 68.21(12) . . ?
C40 Fe2 C31 125.23(12) . . ?
C40 Fe2 C33 153.45(13) . . ?
C40 Fe2 C38 68.33(12) . . ?
C40 Fe2 C32 163.72(12) . . ?
C40 Fe2 C36 40.45(12) . . ?
C40 Fe2 C37 68.28(12) . . ?
C33 Fe2 C31 68.00(11) . . ?
C33 Fe2 C36 164.62(14) . . ?
C33 Fe2 C37 126.86(13) . . ?
C38 Fe2 C31 158.10(12) . . ?
C38 Fe2 C33 107.91(12) . . ?
C38 Fe2 C36 67.94(12) . . ?
C38 Fe2 C37 40.26(12) . . ?
C32 Fe2 C31 40.71(11) . . ?
C32 Fe2 C33 40.25(12) . . ?
C32 Fe2 C38 122.25(12) . . ?
C32 Fe2 C36 128.30(13) . . ?
C32 Fe2 C37 110.80(13) . . ?
C34 Fe2 C31 68.44(12) . . ?
C34 Fe2 C40 118.09(13) . . ?
C34 Fe2 C33 40.43(12) . . ?
C34 Fe2 C38 123.36(12) . . ?
C34 Fe2 C32 68.25(13) . . ?
C34 Fe2 C36 154.40(14) . . ?
C34 Fe2 C37 161.47(13) . . ?
C36 Fe2 C31 109.95(12) . . ?
C37 Fe2 C31 123.80(12) . . ?
C37 Fe2 C36 40.55(12) . . ?
C21 N2 Zn1 119.21(18) . . ?
C25 N2 Zn1 119.86(17) . . ?
C25 N2 C21 119.8(2) . . ?
C11 N4 Zn1 115.03(18) . . ?
C15 N4 Zn1 127.15(19) . . ?
C15 N4 C11 117.8(2) . . ?
C6 N1 Zn1 118.85(18) . . ?
C10 N1 Zn1 121.15(19) . . ?
C10 N1 C6 120.0(2) . . ?
C26 N5 Zn1 115.57(17) . . ?
C30 N5 Zn1 126.04(19) . . ?
C30 N5 C26 118.3(2) . . ?
C20 N6 Zn1 114.65(18) . . ?
C16 N6 Zn1 125.81(19) . . ?
C16 N6 C20 119.2(2) . . ?
C5 N3 Zn1 113.69(18) . . ?
C1 N3 Zn1 126.51(19) . . ?
C1 N3 C5 118.1(2) . . ?
N2 C21 C20 114.1(2) . . ?
N2 C21 C22 121.1(3) . . ?
C22 C21 C20 124.8(2) . . ?
N1 C6 C7 121.5(3) . . ?
N1 C6 C5 114.1(2) . . ?
C7 C6 C5 124.4(3) . . ?
C20 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C18 C19 C20 119.0(3) . . ?
N2 C25 C26 114.1(2) . . ?
N2 C25 C24 121.9(2) . . ?
C24 C25 C26 124.0(2) . . ?
C22 C23 C41 121.5(2) . . ?
C24 C23 C41 121.0(3) . . ?
C24 C23 C22 117.5(3) . . ?
N5 C26 C25 114.3(2) . . ?
N5 C26 C27 122.1(2) . . ?
C27 C26 C25 123.6(2) . . ?
N6 C20 C21 114.8(2) . . ?
N6 C20 C19 121.1(3) . . ?
C19 C20 C21 124.1(3) . . ?
C23 C41 Fe1 119.48(19) . . ?
C42 C41 Fe1 69.57(16) . . ?
C42 C41 C23 126.1(3) . . ?
C45 C41 Fe1 69.18(16) . . ?
C45 C41 C23 126.4(2) . . ?
C45 C41 C42 106.9(2) . . ?
C21 C22 C23 119.9(3) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
N6 C16 H16 118.7 . . ?
N6 C16 C17 122.6(3) . . ?
C17 C16 H16 118.7 . . ?
N4 C11 C10 114.5(2) . . ?
N4 C11 C12 122.0(3) . . ?
C12 C11 C10 123.5(3) . . ?
C72 C71 C69 123.0(3) . . ?
C70 C71 C69 117.4(3) . . ?
C70 C71 C72 119.6(3) . . ?
C58 C57 C56 117.0(3) . . ?
C60 C57 C56 121.6(3) . . ?
C60 C57 C58 121.3(3) . . ?
C6 C7 H7 120.2 . . ?
C6 C7 C8 119.6(3) . . ?
C8 C7 H7 120.2 . . ?
N1 C10 C11 115.0(2) . . ?
N1 C10 C9 120.8(3) . . ?
C9 C10 C11 124.2(3) . . ?
C11 C12 H12 120.5 . . ?
C13 C12 C11 119.1(3) . . ?
C13 C12 H12 120.5 . . ?
C25 C24 C23 119.7(3) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C57 C56 H56 119.4 . . ?
C55 C56 C57 121.1(3) . . ?
C55 C56 H56 119.4 . . ?
Fe1 C42 H42 126.6 . . ?
C41 C42 Fe1 68.94(15) . . ?
C41 C42 H42 125.9 . . ?
C43 C42 Fe1 70.14(16) . . ?
C43 C42 C41 108.2(3) . . ?
C43 C42 H42 125.9 . . ?
C71 C69 H69 119.7 . . ?
C68 C69 C71 120.6(3) . . ?
C68 C69 H69 119.7 . . ?
Fe2 C35 H35 125.4 . . ?
C31 C35 Fe2 70.41(16) . . ?
C31 C35 H35 125.9 . . ?
C34 C35 Fe2 69.82(16) . . ?
C34 C35 H35 125.9 . . ?
C34 C35 C31 108.1(3) . . ?
Fe1 C45 H45 125.8 . . ?
C41 C45 Fe1 69.26(16) . . ?
C41 C45 H45 126.0 . . ?
C44 C45 Fe1 70.53(17) . . ?
C44 C45 C41 108.0(3) . . ?
C44 C45 H45 126.0 . . ?
N3 C5 C6 115.1(2) . . ?
N3 C5 C4 121.8(3) . . ?
C4 C5 C6 123.1(3) . . ?
C56 C55 H55 119.1 . . ?
C56 C55 C54 121.8(3) . . ?
C54 C55 H55 119.1 . . ?
C19 C18 H18 120.2 . . ?
C17 C18 C19 119.6(3) . . ?
C17 C18 H18 120.2 . . ?
Fe1 C44 H44 127.4 . . ?
C45 C44 Fe1 68.84(16) . . ?
C45 C44 H44 125.7 . . ?
C45 C44 C43 108.5(3) . . ?
C43 C44 Fe1 69.63(16) . . ?
C43 C44 H44 125.7 . . ?
C57 C58 H58 119.3 . . ?
C59 C58 C57 121.5(3) . . ?
C59 C58 H58 119.3 . . ?
C69 C68 H68 119.0 . . ?
C69 C68 C66 121.9(3) . . ?
C66 C68 H68 119.0 . . ?
C66 C65 C63 119.6(3) . . ?
C66 C65 C64 122.0(3) . . ?
C64 C65 C63 117.8(3) . . ?
Fe1 C43 H43 126.5 . . ?
C42 C43 Fe1 69.41(15) . . ?
C42 C43 C44 108.4(3) . . ?
C42 C43 H43 125.8 . . ?
C44 C43 Fe1 69.87(16) . . ?
C44 C43 H43 125.8 . . ?
C5 C4 H4 120.4 . . ?
C3 C4 C5 119.1(3) . . ?
C3 C4 H4 120.4 . . ?
N5 C30 H30 118.7 . . ?
N5 C30 C29 122.6(3) . . ?
C29 C30 H30 118.7 . . ?
C59 C54 C55 116.3(3) . . ?
C52 C54 C55 122.6(3) . . ?
C52 C54 C59 121.1(3) . . ?
C58 C59 C54 122.2(3) . . ?
C58 C59 H59 118.9 . . ?
C54 C59 H59 118.9 . . ?
C10 C9 H9 119.7 . . ?
C10 C9 C8 120.5(3) . . ?
C8 C9 H9 119.7 . . ?
C35 C31 Fe2 68.67(16) . . ?
C35 C31 C8 126.6(3) . . ?
C8 C31 Fe2 130.7(2) . . ?
C32 C31 Fe2 69.09(16) . . ?
C32 C31 C35 107.1(3) . . ?
C32 C31 C8 126.2(3) . . ?
C70 C67 H67 119.1 . . ?
C70 C67 C66 121.8(3) . . ?
C66 C67 H67 119.1 . . ?
C71 C72 C74 123.4(3) . . ?
C71 C72 C73 119.2(3) . . ?
C74 C72 C73 117.4(3) . . ?
C71 C70 H70 119.2 . . ?
C67 C70 C71 121.6(3) . . ?
C67 C70 H70 119.2 . . ?
N12 C74 C72 179.2(3) . . ?
C16 C17 H17 120.8 . . ?
C18 C17 C16 118.4(3) . . ?
C18 C17 H17 120.8 . . ?
C1 C2 H2 120.8 . . ?
C3 C2 H2 120.8 . . ?
C3 C2 C1 118.5(3) . . ?
C30 C29 H29 120.8 . . ?
C28 C29 C30 118.4(3) . . ?
C28 C29 H29 120.8 . . ?
Fe2 C39 H39 125.6 . . ?
C40 C39 Fe2 69.90(16) . . ?
C40 C39 H39 126.0 . . ?
C40 C39 C38 108.0(3) . . ?
C38 C39 Fe2 70.05(16) . . ?
C38 C39 H39 126.0 . . ?
C7 C8 C31 121.0(3) . . ?
C9 C8 C7 117.5(3) . . ?
C9 C8 C31 121.4(3) . . ?
Fe1 C50 H50 126.5 . . ?
C46 C50 Fe1 69.56(16) . . ?
C46 C50 H50 125.9 . . ?
C46 C50 C49 108.3(3) . . ?
C49 C50 Fe1 69.64(16) . . ?
C49 C50 H50 125.9 . . ?
C57 C60 C62 121.9(3) . . ?
C61 C60 C57 122.2(3) . . ?
C61 C60 C62 115.9(3) . . ?
N4 C15 H15 118.2 . . ?
N4 C15 C14 123.6(3) . . ?
C14 C15 H15 118.2 . . ?
Fe2 C40 H40 125.8 . . ?
C39 C40 Fe2 69.43(16) . . ?
C39 C40 H40 126.1 . . ?
C36 C40 Fe2 70.25(17) . . ?
C36 C40 C39 107.9(3) . . ?
C36 C40 H40 126.1 . . ?
N13 C63 C65 178.5(3) . . ?
N3 C1 C2 123.2(3) . . ?
N3 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
Fe2 C33 H33 126.6 . . ?
C32 C33 Fe2 69.78(17) . . ?
C32 C33 H33 125.7 . . ?
C32 C33 C34 108.7(3) . . ?
C34 C33 Fe2 69.51(17) . . ?
C34 C33 H33 125.7 . . ?
Fe2 C38 H38 126.3 . . ?
C39 C38 Fe2 69.22(16) . . ?
C39 C38 H38 125.9 . . ?
C37 C38 Fe2 70.13(16) . . ?
C37 C38 C39 108.1(3) . . ?
C37 C38 H38 125.9 . . ?
Fe2 C32 H32 125.5 . . ?
C31 C32 Fe2 70.20(17) . . ?
C31 C32 H32 125.9 . . ?
C33 C32 Fe2 69.97(18) . . ?
C33 C32 C31 108.2(3) . . ?
C33 C32 H32 125.9 . . ?
C65 C66 C68 122.9(3) . . ?
C67 C66 C68 116.5(3) . . ?
C67 C66 C65 120.3(3) . . ?
C15 C14 H14 120.8 . . ?
C15 C14 C13 118.3(3) . . ?
C13 C14 H14 120.8 . . ?
C12 C13 C14 119.2(3) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
N8 C62 C60 179.4(4) . . ?
Fe1 C47 H47 126.1 . . ?
C48 C47 Fe1 69.45(18) . . ?
C48 C47 H47 126.2 . . ?
C46 C47 Fe1 69.81(17) . . ?
C46 C47 H47 126.2 . . ?
C46 C47 C48 107.6(3) . . ?
Fe2 C34 H34 126.0 . . ?
C35 C34 Fe2 69.54(17) . . ?
C35 C34 H34 126.0 . . ?
C33 C34 Fe2 70.06(18) . . ?
C33 C34 C35 108.0(3) . . ?
C33 C34 H34 126.0 . . ?
N11 C73 C72 177.1(3) . . ?
C29 C28 H28 120.2 . . ?
C29 C28 C27 119.7(3) . . ?
C27 C28 H28 120.2 . . ?
Fe2 C36 H36 126.6 . . ?
C40 C36 Fe2 69.30(17) . . ?
C40 C36 H36 126.0 . . ?
C40 C36 C37 108.1(3) . . ?
C37 C36 Fe2 69.69(17) . . ?
C37 C36 H36 126.0 . . ?
N14 C64 C65 178.0(3) . . ?
N7 C61 C60 177.4(4) . . ?
Fe1 C48 H48 125.9 . . ?
C47 C48 Fe1 69.79(17) . . ?
C47 C48 H48 125.8 . . ?
C49 C48 Fe1 70.13(17) . . ?
C49 C48 C47 108.4(3) . . ?
C49 C48 H48 125.8 . . ?
C4 C3 H3 120.3 . . ?
C2 C3 C4 119.3(3) . . ?
C2 C3 H3 120.3 . . ?
C54 C52 C53 121.9(3) . . ?
C54 C52 C51 120.9(3) . . ?
C51 C52 C53 117.1(3) . . ?
C26 C27 C28 118.8(3) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 H27 120.6 . . ?
Fe2 C37 H37 126.1 . . ?
C38 C37 Fe2 69.61(17) . . ?
C38 C37 C36 107.9(3) . . ?
C38 C37 H37 126.1 . . ?
C36 C37 Fe2 69.76(17) . . ?
C36 C37 H37 126.1 . . ?
Fe1 C46 H46 125.9 . . ?
C50 C46 Fe1 69.99(17) . . ?
C50 C46 H46 126.0 . . ?
C47 C46 Fe1 69.68(16) . . ?
C47 C46 C50 108.0(3) . . ?
C47 C46 H46 126.0 . . ?
Fe1 C49 H49 126.1 . . ?
C50 C49 Fe1 69.84(17) . . ?
C50 C49 H49 126.2 . . ?
C48 C49 Fe1 69.42(17) . . ?
C48 C49 C50 107.6(3) . . ?
C48 C49 H49 126.2 . . ?
N10 C53 C52 177.5(4) . . ?
N9 C51 C52 178.1(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
