# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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. 
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data_bsk-30_sq
_database_code_depnum_ccdc_archive 'CCDC 1510870'
_audit_update_record             
;
2016-12-22 deposited with the CCDC.
2017-01-12 downloaded from the CCDC.
;
_audit_creation_date             2016-12-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.11.30 svn.r3356 for OlexSys, GUI svn.r5269)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C40 H43 N8 Pt, F6 P, 2(C2 H3 N)'
_chemical_formula_sum            'C44 H49 F6 N10 P Pt'
_chemical_formula_weight         1057.98
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_space_group_name_Hall           '-P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   17.3199(10)
_cell_length_b                   6.7600(3)
_cell_length_c                   21.6583(12)
_cell_angle_alpha                90
_cell_angle_beta                 113.216(4)
_cell_angle_gamma                90
_cell_volume                     2330.5(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    22820
_cell_measurement_temperature    180.15
_cell_measurement_theta_max      26.15
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.107
_exptl_absorpt_correction_T_max  0.6926
_exptl_absorpt_correction_T_min  0.5938
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1016
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
4 0 -2 0.1035
2 1 4 0.1030
4 0 2 0.1156
4 -2 -4 0.1060
3 0 -4 0.0727
0 1 4 0.0901
1 0 4 0.1018
-4 0 3 0.1183
-4 -2 1 0.1147
-4 0 -3 0.1309
-4 1 -1 0.1129
-4 2 2 0.0768
-3 0 4 0.0929
-1 -4 -1 0.1029
0 -2 -4 0.0921
0 0 -4 0.1147

_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            9533
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         2.559
_diffrn_ambient_temperature      180.15
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           40
_diffrn_source_power             2.000
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4322
_reflns_number_total             4574
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         3.702
_refine_diff_density_min         -1.467
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       0.0039(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         4574
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0490
_refine_ls_restrained_S_all      1.103
_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)+(0.0625P)²+15.5520P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1254
_refine_ls_wR_factor_ref         0.1273
_refine_special_details          ', SQUEEZE'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H30A,H30B,H30C} of C30, {H31A,H31B,H31C} of C31, {H33A,
  H33B,H33C} of C33, {H34A,H34B,H34C} of C34, {H37A,H37B,H37C} of C37, {H36A,
  H36B,H36C} of C36
 At 1.5 times of:
  {H39A,H39B,H39C} of C39
2. Rigid body (RIGU) restrains
 C1, C2
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Fixed Sof: H30A(0.5) H30B(0.5) H30C(0.5) H33A(0.5) H33B(0.5) H33C(0.5)
 H36A(0.5) H36B(0.5) H36C(0.5) H39A(0.5) H39B(0.5) H39C(0.5)
4.a Me refined with riding coordinates:
 C33(H33A,H33B,H33C)
4.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C9(H9), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), C17(H17), C20(H20), C22(H22), C25(H25), C27(H27), C28(H28)
4.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C34(H34A,H34B,H34C), C36(H36A,H36B,
 H36C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Pt1 Pt 0.54229(2) 0.7500 0.63974(2) 0.02608(16) Uani 1 2 d S T P . .
N1 N 0.7893(5) 0.7500 0.3915(5) 0.044(2) Uani 1 2 d S T P . .
N2 N 0.7116(5) 0.7500 0.3444(4) 0.0332(17) Uani 1 2 d S T P . .
N3 N 0.5663(5) 0.7500 0.3095(4) 0.0327(17) Uani 1 2 d S T P . .
N4 N 0.4229(5) 0.7500 0.2659(4) 0.0397(19) Uani 1 2 d S T P . .
N5 N 0.3490(5) 0.7500 0.2768(5) 0.048(2) Uani 1 2 d S T P . .
N6 N 0.6569(5) 0.7500 0.7166(4) 0.0325(17) Uani 1 2 d S T P . .
N7 N 0.5085(4) 0.7500 0.7155(3) 0.0251(14) Uani 1 2 d S T P . .
N8 N 0.4158(4) 0.7500 0.5892(4) 0.0275(15) Uani 1 2 d S T P . .
C1 C 0.5706(5) 0.7500 0.5610(4) 0.0288(18) Uani 1 2 d S TU P . .
C2 C 0.5801(6) 0.7500 0.5083(5) 0.0349(19) Uani 1 2 d S TU P . .
C3 C 0.8378(8) 0.7500 0.3560(7) 0.054(3) Uani 1 2 d S T P . .
H3 H 0.8975 0.7500 0.3757 0.064 Uiso 1 2 calc RS T P . .
C4 C 0.7915(8) 0.7500 0.2887(6) 0.056(3) Uani 1 2 d S T P . .
H4 H 0.8118 0.7500 0.2539 0.068 Uiso 1 2 calc RS T P . .
C5 C 0.7107(8) 0.7500 0.2818(6) 0.052(3) Uani 1 2 d S T P . .
H5 H 0.6625 0.7500 0.2407 0.062 Uiso 1 2 calc RS T P . .
C6 C 0.6393(6) 0.7500 0.3620(4) 0.0277(18) Uani 1 2 d S T P . .
C7 C 0.6504(6) 0.7500 0.4284(4) 0.0309(19) Uani 1 2 d S T P . .
H7 H 0.7050 0.7500 0.4633 0.037 Uiso 1 2 calc RS T P . .
C8 C 0.5796(6) 0.7500 0.4425(5) 0.0299(18) Uani 1 2 d S T P . .
C9 C 0.4996(6) 0.7500 0.3879(5) 0.035(2) Uani 1 2 d S T P . .
H9 H 0.4488 0.7500 0.3949 0.042 Uiso 1 2 calc RS T P . .
C10 C 0.4999(6) 0.7500 0.3244(5) 0.033(2) Uani 1 2 d S T P . .
C11 C 0.4091(8) 0.7500 0.2010(6) 0.052(3) Uani 1 2 d S T P . .
H11 H 0.4510 0.7500 0.1831 0.063 Uiso 1 2 calc RS T P . .
C12 C 0.3248(8) 0.7500 0.1647(7) 0.065(4) Uani 1 2 d S T P . .
H12 H 0.2955 0.7500 0.1173 0.077 Uiso 1 2 calc RS T P . .
C13 C 0.2911(7) 0.7500 0.2145(7) 0.058(3) Uani 1 2 d S T P . .
H13 H 0.2325 0.7500 0.2042 0.070 Uiso 1 2 calc RS T P . .
C14 C 0.7326(6) 0.7500 0.7131(6) 0.042(2) Uani 1 2 d S T P . .
H14 H 0.7359 0.7500 0.6704 0.051 Uiso 1 2 calc RS T P . .
C15 C 0.8066(6) 0.7500 0.7711(6) 0.044(2) Uani 1 2 d S T P . .
H15 H 0.8595 0.7500 0.7674 0.053 Uiso 1 2 calc RS T P . .
C16 C 0.8032(6) 0.7500 0.8334(5) 0.041(2) Uani 1 2 d S T P . .
C17 C 0.7252(6) 0.7500 0.8362(5) 0.035(2) Uani 1 2 d S T P . .
H17 H 0.7211 0.7500 0.8787 0.042 Uiso 1 2 calc RS T P . .
C18 C 0.6526(5) 0.7500 0.7782(4) 0.0294(18) Uani 1 2 d S T P . .
C19 C 0.5675(5) 0.7500 0.7780(4) 0.0292(18) Uani 1 2 d S T P . .
C20 C 0.5455(6) 0.7500 0.8333(5) 0.036(2) Uani 1 2 d S T P . .
H20 H 0.5876 0.7500 0.8777 0.043 Uiso 1 2 calc RS T P . .
C21 C 0.4615(6) 0.7500 0.8224(5) 0.034(2) Uani 1 2 d S T P . .
C22 C 0.4006(6) 0.7500 0.7569(5) 0.0321(19) Uani 1 2 d S T P . .
H22 H 0.3426 0.7500 0.7490 0.039 Uiso 1 2 calc RS T P . .
C23 C 0.4257(5) 0.7500 0.7033(4) 0.0261(17) Uani 1 2 d S T P . .
C24 C 0.3728(5) 0.7500 0.6302(4) 0.0277(18) Uani 1 2 d S T P . .
C25 C 0.2855(6) 0.7500 0.6045(5) 0.0305(19) Uani 1 2 d S T P . .
H25 H 0.2566 0.7500 0.6338 0.037 Uiso 1 2 calc RS T P . .
C26 C 0.2413(5) 0.7500 0.5357(5) 0.035(2) Uani 1 2 d S T P . .
C27 C 0.2861(6) 0.7500 0.4955(5) 0.036(2) Uani 1 2 d S T P . .
H27 H 0.2572 0.7500 0.4480 0.043 Uiso 1 2 calc RS T P . .
C28 C 0.3738(6) 0.7500 0.5240(5) 0.034(2) Uani 1 2 d S T P . .
H28 H 0.4037 0.7500 0.4955 0.040 Uiso 1 2 calc RS T P . .
C29 C 0.8828(6) 0.7500 0.9005(6) 0.044(2) Uani 1 2 d S T P . .
C30 C 0.9632(7) 0.7500 0.8888(7) 0.068(4) Uani 1 2 d S T P . .
H30A H 0.9707 0.8794 0.8714 0.081 Uiso 0.5 1 calc GR . . . .
H30B H 0.9603 0.6471 0.8560 0.081 Uiso 0.5 1 calc GR . . . .
H30C H 1.0109 0.7235 0.9312 0.081 Uiso 0.5 1 calc GR . . . .
C31 C 0.8793(6) 0.5599(17) 0.9387(5) 0.077(3) Uani 1 1 d . . . . .
H31A H 0.9223 0.5659 0.9845 0.092 Uiso 1 1 calc GR . . . .
H31B H 0.8895 0.4448 0.9155 0.092 Uiso 1 1 calc GR . . . .
H31C H 0.8237 0.5482 0.9403 0.092 Uiso 1 1 calc GR . . . .
C32 C 0.4345(6) 0.7500 0.8828(5) 0.039(2) Uani 1 2 d S T P . .
C33 C 0.5080(8) 0.7500 0.9499(5) 0.062(4) Uani 1 2 d S T P . .
H33A H 0.4880 0.7789 0.9855 0.075 Uiso 0.5 1 calc R . . . .
H33B H 0.5485 0.8513 0.9500 0.075 Uiso 0.5 1 calc R . . . .
H33C H 0.5351 0.6199 0.9579 0.075 Uiso 0.5 1 calc R . . . .
C34 C 0.3840(6) 0.5670(15) 0.8787(4) 0.063(2) Uani 1 1 d . . . . .
H34A H 0.3678 0.5623 0.9172 0.075 Uiso 1 1 calc GR . . . .
H34B H 0.4178 0.4502 0.8792 0.075 Uiso 1 1 calc GR . . . .
H34C H 0.3334 0.5689 0.8370 0.075 Uiso 1 1 calc GR . . . .
C35 C 0.1447(6) 0.7500 0.5028(5) 0.039(2) Uani 1 2 d S T P . .
C36 C 0.1046(6) 0.7500 0.5545(6) 0.048(3) Uani 1 2 d S T P . .
H36A H 0.0454 0.7888 0.5325 0.057 Uiso 0.5 1 calc GR . . . .
H36B H 0.1343 0.8441 0.5904 0.057 Uiso 0.5 1 calc GR . . . .
H36C H 0.1084 0.6171 0.5735 0.057 Uiso 0.5 1 calc GR . . . .
C37 C 0.1143(4) 0.5642(12) 0.4581(4) 0.0510(19) Uani 1 1 d . . . . .
H37A H 0.1370 0.4455 0.4852 0.061 Uiso 1 1 calc GR . . . .
H37B H 0.1340 0.5702 0.4215 0.061 Uiso 1 1 calc GR . . . .
H37C H 0.0528 0.5593 0.4393 0.061 Uiso 1 1 calc GR . . . .
P1 P 0.9643(3) 0.2500 0.7553(3) 0.0867(13) Uani 1 2 d S T P . .
F1 F 1.0022(7) 0.2500 0.7004(5) 0.096(3) Uani 1 2 d S T P . .
F2 F 1.0273(7) 0.4183(15) 0.7944(5) 0.141(3) Uani 1 1 d . . . . .
F3 F 0.9011(6) 0.4187(15) 0.7146(6) 0.148(4) Uani 1 1 d . . . . .
F4 F 0.9241(10) 0.2500 0.8083(7) 0.138(5) Uani 1 2 d S T P . .
N9 N 0.1957(8) 0.7500 0.7451(9) 0.097(5) Uani 1 2 d S T P . .
C38 C 0.1224(9) 0.7500 0.7219(8) 0.066(4) Uani 1 2 d S T P . .
C39 C 0.0349(9) 0.7500 0.6908(9) 0.075(4) Uani 1 2 d S T P . .
H39A H 0.0117 0.8224 0.7187 0.113 Uiso 0.5 1 calc GR . . . .
H39B H 0.0143 0.6134 0.6849 0.113 Uiso 0.5 1 calc GR . . . .
H39C H 0.0172 0.8142 0.6468 0.113 Uiso 0.5 1 calc GR . . . .


_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
Pt1 N6 2.026(7) . ?
Pt1 N7 1.949(7) . ?
Pt1 N8 2.027(7) . ?
Pt1 C1 1.952(8) . ?
N1 N2 1.330(12) . ?
N1 C3 1.344(14) . ?
N2 C5 1.350(13) . ?
N2 C6 1.446(12) . ?
N3 C6 1.326(12) . ?
N3 C10 1.311(13) . ?
N4 N5 1.391(13) . ?
N4 C10 1.432(12) . ?
N4 C11 1.330(15) . ?
N5 C13 1.327(15) . ?
N6 C14 1.343(13) . ?
N6 C18 1.363(12) . ?
N7 C19 1.336(11) . ?
N7 C23 1.351(11) . ?
N8 C24 1.365(12) . ?
N8 C28 1.308(12) . ?
C1 C2 1.215(13) . ?
C2 C8 1.422(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.360(18) . ?
C4 H4 0.9500 . ?
C4 C5 1.347(17) . ?
C5 H5 0.9500 . ?
C6 C7 1.373(12) . ?
C7 H7 0.9500 . ?
C7 C8 1.375(13) . ?
C8 C9 1.424(13) . ?
C9 H9 0.9500 . ?
C9 C10 1.377(14) . ?
C11 H11 0.9500 . ?
C11 C12 1.358(17) . ?
C12 H12 0.9500 . ?
C12 C13 1.41(2) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C14 C15 1.397(15) . ?
C15 H15 0.9500 . ?
C15 C16 1.374(16) . ?
C16 C17 1.376(14) . ?
C16 C29 1.559(13) . ?
C17 H17 0.9500 . ?
C17 C18 1.384(12) . ?
C18 C19 1.471(13) . ?
C19 C20 1.393(14) . ?
C20 H20 0.9500 . ?
C20 C21 1.379(13) . ?
C21 C22 1.395(13) . ?
C21 C32 1.553(13) . ?
C22 H22 0.9500 . ?
C22 C23 1.393(13) . ?
C23 C24 1.483(12) . ?
C24 C25 1.391(13) . ?
C25 H25 0.9500 . ?
C25 C26 1.380(13) . ?
C26 C27 1.376(14) . ?
C26 C35 1.539(12) . ?
C27 H27 0.9500 . ?
C27 C28 1.396(13) . ?
C28 H28 0.9500 . ?
C29 C30 1.512(16) . ?
C29 C31 1.542(12) . ?
C29 C31 1.542(12) 4_575 ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.507(14) . ?
C32 C34 1.497(11) . ?
C32 C34 1.497(10) 4_575 ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.532(16) . ?
C35 C37 1.546(9) . ?
C35 C37 1.546(9) 4_575 ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
P1 F1 1.569(10) . ?
P1 F2 1.573(10) . ?
P1 F2 1.573(10) 4_565 ?
P1 F3 1.586(10) 4_565 ?
P1 F3 1.586(10) . ?
P1 F4 1.559(12) . ?
N9 C38 1.166(18) . ?
C38 C39 1.40(2) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?

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
N6 Pt1 N8 160.7(3) . . ?
N7 Pt1 N6 80.2(3) . . ?
N7 Pt1 N8 80.5(3) . . ?
N7 Pt1 C1 177.3(3) . . ?
C1 Pt1 N6 102.5(3) . . ?
C1 Pt1 N8 96.8(3) . . ?
N2 N1 C3 103.5(9) . . ?
N1 N2 C5 112.2(9) . . ?
N1 N2 C6 121.1(8) . . ?
C5 N2 C6 126.7(9) . . ?
C10 N3 C6 114.9(8) . . ?
N5 N4 C10 116.7(9) . . ?
C11 N4 N5 112.6(9) . . ?
C11 N4 C10 130.7(10) . . ?
C13 N5 N4 101.7(10) . . ?
C14 N6 Pt1 127.9(7) . . ?
C14 N6 C18 119.1(8) . . ?
C18 N6 Pt1 113.0(6) . . ?
C19 N7 Pt1 119.2(6) . . ?
C19 N7 C23 121.9(7) . . ?
C23 N7 Pt1 118.8(6) . . ?
C24 N8 Pt1 113.5(6) . . ?
C28 N8 Pt1 127.2(7) . . ?
C28 N8 C24 119.3(8) . . ?
C2 C1 Pt1 173.9(8) . . ?
C1 C2 C8 172.5(10) . . ?
N1 C3 H3 124.0 . . ?
N1 C3 C4 112.1(11) . . ?
C4 C3 H3 124.0 . . ?
C3 C4 H4 127.3 . . ?
C5 C4 C3 105.5(10) . . ?
C5 C4 H4 127.3 . . ?
N2 C5 H5 126.6 . . ?
C4 C5 N2 106.8(10) . . ?
C4 C5 H5 126.6 . . ?
N3 C6 N2 113.9(8) . . ?
N3 C6 C7 126.2(9) . . ?
C7 C6 N2 119.8(8) . . ?
C6 C7 H7 121.2 . . ?
C6 C7 C8 117.5(8) . . ?
C8 C7 H7 121.2 . . ?
C2 C8 C9 116.8(8) . . ?
C7 C8 C2 124.7(8) . . ?
C7 C8 C9 118.5(8) . . ?
C8 C9 H9 121.8 . . ?
C10 C9 C8 116.3(9) . . ?
C10 C9 H9 121.8 . . ?
N3 C10 N4 112.5(9) . . ?
N3 C10 C9 126.5(9) . . ?
C9 C10 N4 120.9(9) . . ?
N4 C11 H11 125.8 . . ?
N4 C11 C12 108.5(13) . . ?
C12 C11 H11 125.8 . . ?
C11 C12 H12 128.3 . . ?
C11 C12 C13 103.4(11) . . ?
C13 C12 H12 128.3 . . ?
N5 C13 C12 113.8(11) . . ?
N5 C13 H13 123.1 . . ?
C12 C13 H13 123.1 . . ?
N6 C14 H14 119.4 . . ?
N6 C14 C15 121.3(10) . . ?
C15 C14 H14 119.4 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(10) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 C17 117.8(9) . . ?
C15 C16 C29 123.4(10) . . ?
C17 C16 C29 118.8(10) . . ?
C16 C17 H17 119.5 . . ?
C16 C17 C18 121.1(9) . . ?
C18 C17 H17 119.5 . . ?
N6 C18 C17 120.5(8) . . ?
N6 C18 C19 116.0(7) . . ?
C17 C18 C19 123.5(8) . . ?
N7 C19 C18 111.6(8) . . ?
N7 C19 C20 120.7(8) . . ?
C20 C19 C18 127.7(8) . . ?
C19 C20 H20 120.6 . . ?
C21 C20 C19 118.7(8) . . ?
C21 C20 H20 120.6 . . ?
C20 C21 C22 119.9(9) . . ?
C20 C21 C32 120.2(8) . . ?
C22 C21 C32 119.9(8) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 C21 119.2(8) . . ?
C23 C22 H22 120.4 . . ?
N7 C23 C22 119.5(8) . . ?
N7 C23 C24 111.8(7) . . ?
C22 C23 C24 128.7(8) . . ?
N8 C24 C23 115.4(7) . . ?
N8 C24 C25 121.6(8) . . ?
C25 C24 C23 123.0(8) . . ?
C24 C25 H25 120.5 . . ?
C26 C25 C24 119.0(9) . . ?
C26 C25 H25 120.5 . . ?
C25 C26 C35 122.6(9) . . ?
C27 C26 C25 118.2(8) . . ?
C27 C26 C35 119.3(9) . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.4(9) . . ?
C28 C27 H27 119.8 . . ?
N8 C28 C27 121.5(9) . . ?
N8 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
C30 C29 C16 112.2(10) . . ?
C30 C29 C31 108.9(6) . . ?
C30 C29 C31 108.9(7) . 4_575 ?
C31 C29 C16 107.0(6) 4_575 . ?
C31 C29 C16 107.0(6) . . ?
C31 C29 C31 112.9(13) . 4_575 ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C21 113.1(9) . . ?
C34 C32 C21 108.2(5) 4_575 . ?
C34 C32 C21 108.2(5) . . ?
C34 C32 C33 107.9(6) . . ?
C34 C32 C33 107.9(6) 4_575 . ?
C34 C32 C34 111.4(10) 4_575 . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C26 C35 C37 109.2(6) . 4_575 ?
C26 C35 C37 109.2(6) . . ?
C36 C35 C26 112.7(8) . . ?
C36 C35 C37 108.5(6) . 4_575 ?
C36 C35 C37 108.5(6) . . ?
C37 C35 C37 108.6(9) . 4_575 ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
F1 P1 F2 90.0(5) . . ?
F1 P1 F2 90.0(5) . 4_565 ?
F1 P1 F3 89.0(5) . 4_565 ?
F1 P1 F3 89.0(5) . . ?
F2 P1 F2 92.7(9) . 4_565 ?
F2 P1 F3 87.7(6) 4_565 4_565 ?
F2 P1 F3 178.9(6) 4_565 . ?
F2 P1 F3 179.0(6) . 4_565 ?
F2 P1 F3 87.7(6) . . ?
F3 P1 F3 91.9(10) . 4_565 ?
F4 P1 F1 178.3(9) . . ?
F4 P1 F2 91.1(6) . 4_565 ?
F4 P1 F2 91.1(6) . . ?
F4 P1 F3 89.9(6) . 4_565 ?
F4 P1 F3 89.9(6) . . ?
N9 C38 C39 176.9(18) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N6 C14 C15 180.000(3) . . . . ?
Pt1 N6 C18 C17 180.000(4) . . . . ?
Pt1 N6 C18 C19 0.000(4) . . . . ?
Pt1 N7 C19 C18 0.000(4) . . . . ?
Pt1 N7 C19 C20 180.000(4) . . . . ?
Pt1 N7 C23 C22 180.000(3) . . . . ?
Pt1 N7 C23 C24 0.000(4) . . . . ?
Pt1 N8 C24 C23 0.000(3) . . . . ?
Pt1 N8 C24 C25 180.000(3) . . . . ?
Pt1 N8 C28 C27 180.000(3) . . . . ?
N1 N2 C5 C4 0.000(2) . . . . ?
N1 N2 C6 N3 180.000(2) . . . . ?
N1 N2 C6 C7 0.000(3) . . . . ?
N1 C3 C4 C5 0.000(3) . . . . ?
N2 N1 C3 C4 0.000(3) . . . . ?
N2 C6 C7 C8 180.000(2) . . . . ?
N3 C6 C7 C8 0.000(3) . . . . ?
N4 N5 C13 C12 0.000(1) . . . . ?
N4 C11 C12 C13 0.000(2) . . . . ?
N5 N4 C10 N3 180.000(1) . . . . ?
N5 N4 C10 C9 0.000(2) . . . . ?
N5 N4 C11 C12 0.000(1) . . . . ?
N6 C14 C15 C16 0.000(6) . . . . ?
N6 C18 C19 N7 0.000(4) . . . . ?
N6 C18 C19 C20 180.000(5) . . . . ?
N7 C19 C20 C21 0.000(5) . . . . ?
N7 C23 C24 N8 0.000(3) . . . . ?
N7 C23 C24 C25 180.000(4) . . . . ?
N8 C24 C25 C26 0.000(4) . . . . ?
C2 C8 C9 C10 180.000(2) . . . . ?
C3 N1 N2 C5 0.000(2) . . . . ?
C3 N1 N2 C6 180.000(2) . . . . ?
C3 C4 C5 N2 0.000(2) . . . . ?
C5 N2 C6 N3 0.000(2) . . . . ?
C5 N2 C6 C7 180.000(2) . . . . ?
C6 N2 C5 C4 180.000(2) . . . . ?
C6 N3 C10 N4 180.000(2) . . . . ?
C6 N3 C10 C9 0.000(3) . . . . ?
C6 C7 C8 C2 180.000(3) . . . . ?
C6 C7 C8 C9 0.000(3) . . . . ?
C7 C8 C9 C10 0.000(3) . . . . ?
C8 C9 C10 N3 0.000(3) . . . . ?
C8 C9 C10 N4 180.000(2) . . . . ?
C10 N3 C6 N2 180.000(2) . . . . ?
C10 N3 C6 C7 0.000(2) . . . . ?
C10 N4 N5 C13 180.000(1) . . . . ?
C10 N4 C11 C12 180.000(2) . . . . ?
C11 N4 N5 C13 0.000(2) . . . . ?
C11 N4 C10 N3 0.000(2) . . . . ?
C11 N4 C10 C9 180.000(2) . . . . ?
C11 C12 C13 N5 0.000(1) . . . . ?
C14 N6 C18 C17 0.000(5) . . . . ?
C14 N6 C18 C19 180.000(4) . . . . ?
C14 C15 C16 C17 0.000(5) . . . . ?
C14 C15 C16 C29 180.000(5) . . . . ?
C15 C16 C17 C18 0.000(6) . . . . ?
C15 C16 C29 C30 0.000(6) . . . . ?
C15 C16 C29 C31 119.4(8) . . . 4_575 ?
C15 C16 C29 C31 -119.4(8) . . . . ?
C16 C17 C18 N6 0.000(5) . . . . ?
C16 C17 C18 C19 180.000(5) . . . . ?
C17 C16 C29 C30 180.000(6) . . . . ?
C17 C16 C29 C31 60.6(8) . . . . ?
C17 C16 C29 C31 -60.6(8) . . . 4_575 ?
C17 C18 C19 N7 180.000(4) . . . . ?
C17 C18 C19 C20 0.000(6) . . . . ?
C18 N6 C14 C15 0.000(6) . . . . ?
C18 C19 C20 C21 180.000(5) . . . . ?
C19 N7 C23 C22 0.000(4) . . . . ?
C19 N7 C23 C24 180.000(4) . . . . ?
C19 C20 C21 C22 0.000(6) . . . . ?
C19 C20 C21 C32 180.000(5) . . . . ?
C20 C21 C22 C23 0.000(6) . . . . ?
C20 C21 C32 C33 0.000(7) . . . . ?
C20 C21 C32 C34 119.6(6) . . . 4_575 ?
C20 C21 C32 C34 -119.6(6) . . . . ?
C21 C22 C23 N7 0.000(5) . . . . ?
C21 C22 C23 C24 180.000(4) . . . . ?
C22 C21 C32 C33 180.000(5) . . . . ?
C22 C21 C32 C34 -60.4(6) . . . 4_575 ?
C22 C21 C32 C34 60.4(6) . . . . ?
C22 C23 C24 N8 180.000(4) . . . . ?
C22 C23 C24 C25 0.000(5) . . . . ?
C23 N7 C19 C18 180.000(4) . . . . ?
C23 N7 C19 C20 0.000(5) . . . . ?
C23 C24 C25 C26 180.000(3) . . . . ?
C24 N8 C28 C27 0.000(4) . . . . ?
C24 C25 C26 C27 0.000(4) . . . . ?
C24 C25 C26 C35 180.000(3) . . . . ?
C25 C26 C27 C28 0.000(4) . . . . ?
C25 C26 C35 C36 0.000(4) . . . . ?
C25 C26 C35 C37 120.7(6) . . . 4_575 ?
C25 C26 C35 C37 -120.7(6) . . . . ?
C26 C27 C28 N8 0.000(4) . . . . ?
C27 C26 C35 C36 180.000(3) . . . . ?
C27 C26 C35 C37 59.3(6) . . . . ?
C27 C26 C35 C37 -59.3(6) . . . 4_575 ?
C28 N8 C24 C23 180.000(3) . . . . ?
C28 N8 C24 C25 0.000(4) . . . . ?
C29 C16 C17 C18 180.000(5) . . . . ?
C32 C21 C22 C23 180.000(4) . . . . ?
C35 C26 C27 C28 180.000(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.234 -0.040 0.948 155 18 'C2 H3 N'
2 0.766 -0.023 1.052 155 18 'C2 H3 N'
3 0.179 0.250 0.398 11 1 ' '
4 0.821 0.750 0.602 11 1 ' '

_vrf_CHEMW03_bsk-30_sq           
;
PROBLEM: The ratio of given/expected molecular weight as
RESPONSE: The given formula and molecular mass consider one additional molecule
  of acetonitril per formula unit which occupies the void, where the electron 
  density was modulated by SQUEEZE.
;
_vrf_PLAT046_bsk-30_sq           
;
PROBLEM: Reported Z, MW and D(calc) are Inconsistent ....      1.508 Check 
RESPONSE: see above
;
####################################################################### 
# 
# 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_bs67-2
_database_code_depnum_ccdc_archive 'CCDC 1510869'
_audit_update_record             
;
2016-10-20 deposited with the CCDC.
2017-01-12 downloaded from the CCDC.
;
_audit_creation_date             2016-10-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C80 H86 Fe N16 Pt2, 10(C H2 Cl2), 4(B F4)'
_chemical_formula_sum            'C90 H106 B4 Cl20 F16 Fe N16 Pt2'
_chemical_formula_weight         2914.17
_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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   32.6480(8)
_cell_length_b                   19.9969(5)
_cell_length_c                   17.9521(4)
_cell_angle_alpha                90
_cell_angle_beta                 97.533(2)
_cell_angle_gamma                90
_cell_volume                     11619.0(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    70014
_cell_measurement_temperature    180.15
_cell_measurement_theta_max      26.21
_cell_measurement_theta_min      2.03
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.061
_exptl_absorpt_correction_T_max  0.6268
_exptl_absorpt_correction_T_min  0.3378
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             5776
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.14
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_Laue_measured_fraction_full 0.954
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30271
_diffrn_reflns_point_group_measured_fraction_full 0.954
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         25.716
_diffrn_reflns_theta_min         2.145
_diffrn_ambient_temperature      180.15
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           40
_diffrn_source_power             2.000
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9322
_reflns_number_total             10901
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.031
_refine_diff_density_min         -1.605
_refine_diff_density_rms         0.167
_refine_ls_extinction_coef       0.00200(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     682
_refine_ls_number_reflns         10901
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0570
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1189P)²+53.6546P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1609
_refine_ls_wR_factor_ref         0.1695
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl4-C43
 1.76 with sigma of 0.02
 C43-Cl5
 1.76 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C43) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
4.a Secondary CH2 refined with riding coordinates:
 C45(H45A,H45B), C43(H43A,H43B), C44(H44A,H44B), C41(H41A,H41B), C42(H42A,H42B)
4.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C5(H5), C7(H7), C9(H9), C10(H10), C11(H11), C14(H14),
 C15(H15), C17(H17), C20(H20), C22(H22), C25(H25), C27(H27), C28(H28)
4.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C34(H34A,H34B,
 H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C38(H38A,H38B,H38C), C39(H39A,
 H39B,H39C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Pt1 Pt 0.75565(2) 0.23689(2) 0.59228(2) 0.03504(14) Uani 1 1 d . . . . .
Fe1 Fe 0.5000 0.19722(6) 0.7500 0.0352(3) Uani 1 2 d S T P . .
Cl9 Cl 0.90492(17) 0.0706(3) 0.7046(3) 0.1583(18) Uani 1 1 d . . . . .
Cl10 Cl 0.8471(2) 0.1639(3) 0.7577(3) 0.168(2) Uani 1 1 d . . . . .
N1 N 0.49209(15) 0.1273(3) 0.6727(3) 0.0392(11) Uani 1 1 d . . . . .
N2 N 0.52857(16) 0.1126(3) 0.6437(3) 0.0394(11) Uani 1 1 d . . . . .
N3 N 0.55296(15) 0.1977(2) 0.7189(3) 0.0355(10) Uani 1 1 d . . . . .
N4 N 0.56402(17) 0.2851(3) 0.7974(3) 0.0412(11) Uani 1 1 d . . . . .
N5 N 0.52600(17) 0.2695(3) 0.8144(3) 0.0407(12) Uani 1 1 d . . . . .
N6 N 0.76938(16) 0.1440(3) 0.5596(3) 0.0389(11) Uani 1 1 d . . . . .
N7 N 0.81367(17) 0.2495(3) 0.5830(3) 0.0360(11) Uani 1 1 d . . . . .
N8 N 0.76227(16) 0.3329(3) 0.6250(3) 0.0392(11) Uani 1 1 d . . . . .
C1 C 0.4653(2) 0.0841(4) 0.6400(4) 0.0467(15) Uani 1 1 d . . . . .
H1 H 0.4371 0.0823 0.6482 0.056 Uiso 1 1 calc R . . . .
C2 C 0.4829(2) 0.0411(4) 0.5917(4) 0.0501(16) Uani 1 1 d . . . . .
H2 H 0.4698 0.0057 0.5624 0.060 Uiso 1 1 calc R . . . .
C3 C 0.5230(2) 0.0607(3) 0.5959(4) 0.0457(15) Uani 1 1 d . . . . .
H3 H 0.5435 0.0412 0.5696 0.055 Uiso 1 1 calc R . . . .
C4 C 0.56264(18) 0.1541(3) 0.6674(3) 0.0361(12) Uani 1 1 d . . . . .
C5 C 0.59975(19) 0.1545(3) 0.6394(3) 0.0388(13) Uani 1 1 d . . . . .
H5 H 0.6060 0.1223 0.6036 0.047 Uiso 1 1 calc R . . . .
C6 C 0.62820(19) 0.2044(3) 0.6659(3) 0.0399(13) Uani 1 1 d . . . . .
C7 C 0.6183(2) 0.2494(3) 0.7211(4) 0.0416(14) Uani 1 1 d . . . . .
H7 H 0.6373 0.2829 0.7409 0.050 Uiso 1 1 calc R . . . .
C8 C 0.5807(2) 0.2434(3) 0.7452(4) 0.0404(14) Uani 1 1 d . . . . .
C9 C 0.5775(2) 0.3440(4) 0.8300(4) 0.0524(17) Uani 1 1 d . . . . .
H9 H 0.6030 0.3657 0.8255 0.063 Uiso 1 1 calc R . . . .
C10 C 0.5477(3) 0.3657(4) 0.8701(4) 0.0579(19) Uani 1 1 d . . . . .
H10 H 0.5481 0.4050 0.8998 0.069 Uiso 1 1 calc R . . . .
C11 C 0.5164(2) 0.3181(4) 0.8585(4) 0.0474(15) Uani 1 1 d . . . . .
H11 H 0.4912 0.3204 0.8797 0.057 Uiso 1 1 calc R . . . .
C12 C 0.6666(2) 0.2110(3) 0.6372(4) 0.0421(13) Uani 1 1 d . . . . .
C13 C 0.69965(19) 0.2215(3) 0.6144(4) 0.0379(13) Uani 1 1 d . . . . .
C14 C 0.7434(2) 0.0913(3) 0.5492(4) 0.0438(14) Uani 1 1 d . . . . .
H14 H 0.7148 0.0979 0.5512 0.053 Uiso 1 1 calc R . . . .
C15 C 0.7575(2) 0.0287(3) 0.5359(4) 0.0476(15) Uani 1 1 d . . . . .
H15 H 0.7386 -0.0076 0.5291 0.057 Uiso 1 1 calc R . . . .
C16 C 0.7997(2) 0.0173(3) 0.5320(4) 0.0452(14) Uani 1 1 d . . . . .
C17 C 0.8251(2) 0.0730(3) 0.5381(4) 0.0443(14) Uani 1 1 d . . . . .
H17 H 0.8534 0.0679 0.5326 0.053 Uiso 1 1 calc R . . . .
C18 C 0.81013(18) 0.1354(3) 0.5519(3) 0.0370(12) Uani 1 1 d . . . . .
C19 C 0.83581(19) 0.1968(3) 0.5634(3) 0.0397(13) Uani 1 1 d . . . . .
C20 C 0.87748(19) 0.2029(3) 0.5607(3) 0.0399(13) Uani 1 1 d . . . . .
H20 H 0.8931 0.1657 0.5472 0.048 Uiso 1 1 calc R . . . .
C21 C 0.8969(2) 0.2650(3) 0.5784(4) 0.0407(14) Uani 1 1 d . . . . .
C22 C 0.87294(19) 0.3179(3) 0.6001(3) 0.0405(13) Uani 1 1 d . . . . .
H22 H 0.8853 0.3601 0.6129 0.049 Uiso 1 1 calc R . . . .
C23 C 0.8319(2) 0.3087(3) 0.6029(3) 0.0377(12) Uani 1 1 d . . . . .
C24 C 0.80191(18) 0.3564(3) 0.6291(3) 0.0386(13) Uani 1 1 d . . . . .
C25 C 0.8122(2) 0.4188(3) 0.6593(3) 0.0414(13) Uani 1 1 d . . . . .
H25 H 0.8396 0.4347 0.6606 0.050 Uiso 1 1 calc R . . . .
C26 C 0.7826(2) 0.4589(3) 0.6880(4) 0.0436(14) Uani 1 1 d . . . . .
C27 C 0.7428(2) 0.4350(4) 0.6801(4) 0.0498(16) Uani 1 1 d . . . . .
H27 H 0.7215 0.4615 0.6963 0.060 Uiso 1 1 calc R . . . .
C28 C 0.7334(2) 0.3728(3) 0.6489(3) 0.0420(14) Uani 1 1 d . . . . .
H28 H 0.7056 0.3577 0.6441 0.050 Uiso 1 1 calc R . . . .
C29 C 0.8162(3) -0.0541(4) 0.5268(5) 0.0593(19) Uani 1 1 d . . . . .
C30 C 0.8060(4) -0.0931(5) 0.5929(8) 0.108(4) Uani 1 1 d . . . . .
H30A H 0.8177 -0.0706 0.6394 0.162 Uiso 1 1 calc GR . . . .
H30B H 0.8176 -0.1382 0.5916 0.162 Uiso 1 1 calc GR . . . .
H30C H 0.7759 -0.0960 0.5912 0.162 Uiso 1 1 calc GR . . . .
C31 C 0.7992(5) -0.0825(7) 0.4521(8) 0.139(7) Uani 1 1 d . . . . .
H31A H 0.7974 -0.0471 0.4140 0.209 Uiso 1 1 calc GR . . . .
H31B H 0.7716 -0.1008 0.4547 0.209 Uiso 1 1 calc GR . . . .
H31C H 0.8175 -0.1181 0.4385 0.209 Uiso 1 1 calc GR . . . .
C32 C 0.8630(3) -0.0567(5) 0.5306(6) 0.076(2) Uani 1 1 d . . . . .
H32A H 0.8713 -0.0359 0.4855 0.113 Uiso 1 1 calc GR . . . .
H32B H 0.8722 -0.1034 0.5334 0.113 Uiso 1 1 calc GR . . . .
H32C H 0.8757 -0.0326 0.5752 0.113 Uiso 1 1 calc GR . . . .
C33 C 0.9435(2) 0.2714(4) 0.5767(4) 0.0492(16) Uani 1 1 d . . . . .
C34 C 0.9659(3) 0.2401(5) 0.6477(5) 0.067(2) Uani 1 1 d . . . . .
H34A H 0.9572 0.2623 0.6918 0.101 Uiso 1 1 calc GR . . . .
H34B H 0.9958 0.2456 0.6484 0.101 Uiso 1 1 calc GR . . . .
H34C H 0.9591 0.1924 0.6489 0.101 Uiso 1 1 calc GR . . . .
C35 C 0.9561(3) 0.2355(4) 0.5068(5) 0.0560(19) Uani 1 1 d . . . . .
H35A H 0.9575 0.1872 0.5159 0.084 Uiso 1 1 calc GR . . . .
H35B H 0.9833 0.2517 0.4971 0.084 Uiso 1 1 calc GR . . . .
H35C H 0.9356 0.2449 0.4631 0.084 Uiso 1 1 calc GR . . . .
C36 C 0.9562(2) 0.3451(4) 0.5720(6) 0.068(2) Uani 1 1 d . . . . .
H36A H 0.9409 0.3656 0.5271 0.103 Uiso 1 1 calc GR . . . .
H36B H 0.9859 0.3479 0.5691 0.103 Uiso 1 1 calc GR . . . .
H36C H 0.9498 0.3689 0.6168 0.103 Uiso 1 1 calc GR . . . .
C37 C 0.7958(2) 0.5238(4) 0.7299(4) 0.0504(16) Uani 1 1 d . . . . .
C38 C 0.8231(3) 0.5034(5) 0.8020(5) 0.071(2) Uani 1 1 d . . . . .
H38A H 0.8470 0.4783 0.7893 0.106 Uiso 1 1 calc GR . . . .
H38B H 0.8072 0.4754 0.8325 0.106 Uiso 1 1 calc GR . . . .
H38C H 0.8326 0.5436 0.8304 0.106 Uiso 1 1 calc GR . . . .
C39 C 0.8193(3) 0.5685(4) 0.6808(5) 0.064(2) Uani 1 1 d . . . . .
H39A H 0.8462 0.5484 0.6760 0.096 Uiso 1 1 calc GR . . . .
H39B H 0.8234 0.6127 0.7041 0.096 Uiso 1 1 calc GR . . . .
H39C H 0.8033 0.5730 0.6309 0.096 Uiso 1 1 calc GR . . . .
C40 C 0.7581(3) 0.5627(4) 0.7508(5) 0.0595(19) Uani 1 1 d . . . . .
H40A H 0.7675 0.6036 0.7780 0.089 Uiso 1 1 calc GR . . . .
H40B H 0.7429 0.5347 0.7827 0.089 Uiso 1 1 calc GR . . . .
H40C H 0.7399 0.5746 0.7049 0.089 Uiso 1 1 calc GR . . . .
C45 C 0.8621(8) 0.0823(10) 0.7517(13) 0.192(10) Uani 1 1 d . . . . .
H45A H 0.8387 0.0563 0.7257 0.230 Uiso 1 1 calc R . . . .
H45B H 0.8685 0.0641 0.8032 0.230 Uiso 1 1 calc R . . . .
Cl4 Cl 1.20527(14) 0.3176(2) 0.6762(3) 0.1463(17) Uani 1 1 d D . . . .
Cl5 Cl 1.2649(3) 0.2343(3) 0.6234(6) 0.228(4) Uani 1 1 d D . . . .
C43 C 1.2449(8) 0.2535(9) 0.6974(8) 0.228(16) Uani 1 1 d D U . . .
H43A H 1.2667 0.2703 0.7365 0.274 Uiso 1 1 calc R . . . .
H43B H 1.2325 0.2132 0.7174 0.274 Uiso 1 1 calc R . . . .
Cl6 Cl 0.53168(16) 0.5455(2) 0.9386(4) 0.1570(18) Uani 1 1 d . . . . .
Cl7 Cl 0.45347(16) 0.6172(3) 0.9209(3) 0.1594(18) Uani 1 1 d . . . . .
C44 C 0.4824(6) 0.5490(11) 0.8893(11) 0.159(7) Uani 1 1 d . . . . .
H44A H 0.4678 0.5065 0.8960 0.191 Uiso 1 1 calc R . . . .
H44B H 0.4844 0.5545 0.8350 0.191 Uiso 1 1 calc R . . . .
Cl1 Cl 0.56364(13) 0.04274(18) 0.25033(17) 0.1089(10) Uani 1 1 d . . . . .
Cl2 Cl 0.59538(15) 0.1671(2) 0.20146(18) 0.1243(13) Uani 1 1 d . . . . .
C41 C 0.5673(4) 0.0956(6) 0.1744(6) 0.091(3) Uani 1 1 d . . . . .
H41A H 0.5808 0.0715 0.1361 0.109 Uiso 1 1 calc R . . . .
H41B H 0.5392 0.1085 0.1514 0.109 Uiso 1 1 calc R . . . .
Cl3 Cl 1.06915(13) 0.2919(3) 0.4973(2) 0.1359(14) Uani 1 1 d . . . . .
Cl8 Cl 1.1449(2) 0.2872(3) 0.4344(4) 0.200(3) Uani 1 1 d . . . . .
C42 C 1.1194(5) 0.3130(7) 0.5090(7) 0.108(4) Uani 1 1 d . . . . .
H42A H 1.1331 0.2927 0.5560 0.130 Uiso 1 1 calc R . . . .
H42B H 1.1218 0.3622 0.5142 0.130 Uiso 1 1 calc R . . . .
F5 F 0.61085(14) 0.0083(3) 0.4216(2) 0.0634(12) Uani 1 1 d . . . . .
F6 F 0.64411(16) 0.0696(2) 0.5164(3) 0.0652(12) Uani 1 1 d . . . . .
F7 F 0.66189(15) -0.0385(2) 0.5040(3) 0.0692(12) Uani 1 1 d . . . . .
F8 F 0.60042(15) -0.0117(3) 0.5423(3) 0.0687(12) Uani 1 1 d . . . . .
B2 B 0.6294(3) 0.0065(4) 0.4959(4) 0.0472(17) Uani 1 1 d . . . . .
F1 F 0.6408(2) 0.4085(3) 0.7126(3) 0.0919(17) Uani 1 1 d . . . . .
F2 F 0.6288(2) 0.3733(4) 0.5951(3) 0.103(2) Uani 1 1 d . . . . .
F3 F 0.57551(19) 0.3868(4) 0.6600(4) 0.0997(19) Uani 1 1 d . . . . .
F4 F 0.6085(3) 0.4759(4) 0.6208(5) 0.144(3) Uani 1 1 d . . . . .
B1 B 0.6128(3) 0.4113(5) 0.6459(6) 0.067(2) 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
Pt1 N6 2.016(5) . ?
Pt1 N7 1.940(5) . ?
Pt1 N8 2.011(5) . ?
Pt1 C13 1.945(6) . ?
Fe1 N1 1.963(5) 2_656 ?
Fe1 N1 1.963(5) . ?
Fe1 N3 1.885(5) . ?
Fe1 N3 1.886(5) 2_656 ?
Fe1 N5 1.972(6) 2_656 ?
Fe1 N5 1.972(6) . ?
Cl9 C45 1.740(18) . ?
Cl10 C45 1.71(2) . ?
N1 N2 1.392(7) . ?
N1 C1 1.312(8) . ?
N2 C3 1.344(8) . ?
N2 C4 1.408(8) . ?
N3 C4 1.339(8) . ?
N3 C8 1.328(8) . ?
N4 N5 1.353(8) . ?
N4 C8 1.415(8) . ?
N4 C9 1.363(9) . ?
N5 C11 1.318(8) . ?
N6 C14 1.350(8) . ?
N6 C18 1.367(8) . ?
N7 C19 1.351(8) . ?
N7 C23 1.352(8) . ?
N8 C24 1.370(8) . ?
N8 C28 1.347(8) . ?
C1 H1 0.9500 . ?
C1 C2 1.399(10) . ?
C2 H2 0.9500 . ?
C2 C3 1.359(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.371(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.404(9) . ?
C6 C7 1.406(9) . ?
C6 C12 1.423(8) . ?
C7 H7 0.9500 . ?
C7 C8 1.362(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.354(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.393(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.221(9) . ?
C14 H14 0.9500 . ?
C14 C15 1.367(10) . ?
C15 H15 0.9500 . ?
C15 C16 1.408(10) . ?
C16 C17 1.382(10) . ?
C16 C29 1.533(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.374(9) . ?
C18 C19 1.486(9) . ?
C19 C20 1.373(9) . ?
C20 H20 0.9500 . ?
C20 C21 1.412(9) . ?
C21 C22 1.401(9) . ?
C21 C33 1.531(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.360(9) . ?
C23 C24 1.487(8) . ?
C24 C25 1.382(9) . ?
C25 H25 0.9500 . ?
C25 C26 1.405(9) . ?
C26 C27 1.373(10) . ?
C26 C37 1.533(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.382(10) . ?
C28 H28 0.9500 . ?
C29 C30 1.494(13) . ?
C29 C31 1.494(14) . ?
C29 C32 1.522(12) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.519(12) . ?
C33 C35 1.548(10) . ?
C33 C36 1.537(11) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.527(11) . ?
C37 C39 1.530(11) . ?
C37 C40 1.544(10) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
Cl4 C43 1.825(15) . ?
Cl5 C43 1.602(14) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
Cl6 C44 1.733(19) . ?
Cl7 C44 1.79(2) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
Cl1 C41 1.741(11) . ?
Cl2 C41 1.733(13) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
Cl3 C42 1.681(14) . ?
Cl8 C42 1.743(13) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
F5 B2 1.391(9) . ?
F6 B2 1.382(9) . ?
F7 B2 1.385(10) . ?
F8 B2 1.389(8) . ?
F1 B1 1.409(13) . ?
F2 B1 1.344(12) . ?
F3 B1 1.367(12) . ?
F4 B1 1.369(12) . ?

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
N7 Pt1 N6 80.7(2) . . ?
N7 Pt1 N8 80.3(2) . . ?
N7 Pt1 C13 173.0(2) . . ?
N8 Pt1 N6 160.9(2) . . ?
C13 Pt1 N6 99.5(2) . . ?
C13 Pt1 N8 99.2(2) . . ?
N1 Fe1 N1 89.1(3) 2_656 . ?
N1 Fe1 N5 95.8(2) 2_656 . ?
N1 Fe1 N5 95.8(2) . 2_656 ?
N1 Fe1 N5 160.6(2) . . ?
N1 Fe1 N5 160.6(2) 2_656 2_656 ?
N3 Fe1 N1 99.9(2) 2_656 . ?
N3 Fe1 N1 99.9(2) . 2_656 ?
N3 Fe1 N1 80.5(2) 2_656 2_656 ?
N3 Fe1 N1 80.5(2) . . ?
N3 Fe1 N3 179.4(3) . 2_656 ?
N3 Fe1 N5 80.1(2) 2_656 2_656 ?
N3 Fe1 N5 99.4(2) 2_656 . ?
N3 Fe1 N5 99.4(2) . 2_656 ?
N3 Fe1 N5 80.1(2) . . ?
N5 Fe1 N5 85.7(3) . 2_656 ?
N2 N1 Fe1 112.0(4) . . ?
C1 N1 Fe1 143.4(4) . . ?
C1 N1 N2 104.3(5) . . ?
N1 N2 C4 116.3(5) . . ?
C3 N2 N1 110.6(5) . . ?
C3 N2 C4 133.1(5) . . ?
C4 N3 Fe1 120.7(4) . . ?
C8 N3 Fe1 120.4(4) . . ?
C8 N3 C4 118.8(5) . . ?
N5 N4 C8 117.1(5) . . ?
N5 N4 C9 110.9(5) . . ?
C9 N4 C8 131.6(6) . . ?
N4 N5 Fe1 112.0(4) . . ?
C11 N5 Fe1 140.8(5) . . ?
C11 N5 N4 105.3(5) . . ?
C14 N6 Pt1 126.8(4) . . ?
C14 N6 C18 119.3(5) . . ?
C18 N6 Pt1 113.8(4) . . ?
C19 N7 Pt1 118.8(4) . . ?
C19 N7 C23 121.4(6) . . ?
C23 N7 Pt1 119.5(4) . . ?
C24 N8 Pt1 114.1(4) . . ?
C28 N8 Pt1 127.3(4) . . ?
C28 N8 C24 118.3(5) . . ?
N1 C1 H1 123.9 . . ?
N1 C1 C2 112.2(6) . . ?
C2 C1 H1 123.9 . . ?
C1 C2 H2 127.5 . . ?
C3 C2 C1 105.1(6) . . ?
C3 C2 H2 127.5 . . ?
N2 C3 C2 107.9(6) . . ?
N2 C3 H3 126.1 . . ?
C2 C3 H3 126.1 . . ?
N3 C4 N2 110.1(5) . . ?
N3 C4 C5 123.3(6) . . ?
C5 C4 N2 126.4(6) . . ?
C4 C5 H5 121.4 . . ?
C4 C5 C6 117.2(6) . . ?
C6 C5 H5 121.4 . . ?
C5 C6 C7 119.4(5) . . ?
C5 C6 C12 121.2(6) . . ?
C7 C6 C12 119.4(6) . . ?
C6 C7 H7 121.1 . . ?
C8 C7 C6 117.9(6) . . ?
C8 C7 H7 121.1 . . ?
N3 C8 N4 109.8(6) . . ?
N3 C8 C7 123.3(6) . . ?
C7 C8 N4 126.8(6) . . ?
N4 C9 H9 126.6 . . ?
C10 C9 N4 106.9(6) . . ?
C10 C9 H9 126.6 . . ?
C9 C10 H10 127.2 . . ?
C9 C10 C11 105.5(6) . . ?
C11 C10 H10 127.2 . . ?
N5 C11 C10 111.4(6) . . ?
N5 C11 H11 124.3 . . ?
C10 C11 H11 124.3 . . ?
C13 C12 C6 175.3(7) . . ?
C12 C13 Pt1 172.2(6) . . ?
N6 C14 H14 119.3 . . ?
N6 C14 C15 121.3(6) . . ?
C15 C14 H14 119.3 . . ?
C14 C15 H15 119.6 . . ?
C14 C15 C16 120.7(6) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 C29 120.4(6) . . ?
C17 C16 C15 116.5(6) . . ?
C17 C16 C29 123.0(7) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 C16 121.5(6) . . ?
C18 C17 H17 119.2 . . ?
N6 C18 C17 120.4(6) . . ?
N6 C18 C19 114.9(5) . . ?
C17 C18 C19 124.7(6) . . ?
N7 C19 C18 111.7(5) . . ?
N7 C19 C20 120.4(6) . . ?
C20 C19 C18 127.7(6) . . ?
C19 C20 H20 120.4 . . ?
C19 C20 C21 119.2(6) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 C33 119.1(6) . . ?
C22 C21 C20 118.4(6) . . ?
C22 C21 C33 122.4(6) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.8(6) . . ?
C23 C22 H22 120.1 . . ?
N7 C23 C22 120.6(6) . . ?
N7 C23 C24 111.1(5) . . ?
C22 C23 C24 128.2(6) . . ?
N8 C24 C23 114.8(5) . . ?
N8 C24 C25 120.6(6) . . ?
C25 C24 C23 124.5(6) . . ?
C24 C25 H25 119.5 . . ?
C24 C25 C26 121.1(6) . . ?
C26 C25 H25 119.5 . . ?
C25 C26 C37 120.0(6) . . ?
C27 C26 C25 116.7(6) . . ?
C27 C26 C37 123.2(6) . . ?
C26 C27 H27 119.6 . . ?
C26 C27 C28 120.7(6) . . ?
C28 C27 H27 119.6 . . ?
N8 C28 C27 122.4(6) . . ?
N8 C28 H28 118.8 . . ?
C27 C28 H28 118.8 . . ?
C30 C29 C16 108.7(7) . . ?
C30 C29 C31 114.9(11) . . ?
C30 C29 C32 105.9(8) . . ?
C31 C29 C16 108.5(8) . . ?
C31 C29 C32 106.2(9) . . ?
C32 C29 C16 112.8(7) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C21 C33 C35 110.4(6) . . ?
C21 C33 C36 110.9(6) . . ?
C34 C33 C21 108.6(6) . . ?
C34 C33 C35 109.9(7) . . ?
C34 C33 C36 109.7(7) . . ?
C36 C33 C35 107.3(6) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C26 C37 C40 111.3(6) . . ?
C38 C37 C26 106.6(6) . . ?
C38 C37 C39 111.3(7) . . ?
C38 C37 C40 108.9(6) . . ?
C39 C37 C26 110.0(6) . . ?
C39 C37 C40 108.8(6) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Cl9 C45 H45A 108.6 . . ?
Cl9 C45 H45B 108.6 . . ?
Cl10 C45 Cl9 114.5(10) . . ?
Cl10 C45 H45A 108.6 . . ?
Cl10 C45 H45B 108.6 . . ?
H45A C45 H45B 107.6 . . ?
Cl4 C43 H43A 109.5 . . ?
Cl4 C43 H43B 109.5 . . ?
Cl5 C43 Cl4 110.5(8) . . ?
Cl5 C43 H43A 109.5 . . ?
Cl5 C43 H43B 109.5 . . ?
H43A C43 H43B 108.1 . . ?
Cl6 C44 Cl7 111.2(10) . . ?
Cl6 C44 H44A 109.4 . . ?
Cl6 C44 H44B 109.4 . . ?
Cl7 C44 H44A 109.4 . . ?
Cl7 C44 H44B 109.4 . . ?
H44A C44 H44B 108.0 . . ?
Cl1 C41 H41A 109.3 . . ?
Cl1 C41 H41B 109.3 . . ?
Cl2 C41 Cl1 111.7(6) . . ?
Cl2 C41 H41A 109.3 . . ?
Cl2 C41 H41B 109.3 . . ?
H41A C41 H41B 107.9 . . ?
Cl3 C42 Cl8 112.7(8) . . ?
Cl3 C42 H42A 109.1 . . ?
Cl3 C42 H42B 109.1 . . ?
Cl8 C42 H42A 109.1 . . ?
Cl8 C42 H42B 109.1 . . ?
H42A C42 H42B 107.8 . . ?
F6 B2 F5 108.9(6) . . ?
F6 B2 F7 109.3(6) . . ?
F6 B2 F8 108.7(6) . . ?
F7 B2 F5 110.4(6) . . ?
F7 B2 F8 109.8(7) . . ?
F8 B2 F5 109.7(6) . . ?
F2 B1 F1 106.6(9) . . ?
F2 B1 F3 111.1(9) . . ?
F2 B1 F4 110.0(9) . . ?
F3 B1 F1 108.8(8) . . ?
F3 B1 F4 110.2(9) . . ?
F4 B1 F1 110.1(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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N6 C14 C15 -171.9(5) . . . . ?
Pt1 N6 C18 C17 172.7(5) . . . . ?
Pt1 N6 C18 C19 -4.3(6) . . . . ?
Pt1 N7 C19 C18 0.1(7) . . . . ?
Pt1 N7 C19 C20 -176.0(5) . . . . ?
Pt1 N7 C23 C22 177.0(5) . . . . ?
Pt1 N7 C23 C24 -0.7(7) . . . . ?
Pt1 N8 C24 C23 4.7(6) . . . . ?
Pt1 N8 C24 C25 -172.3(5) . . . . ?
Pt1 N8 C28 C27 170.6(5) . . . . ?
Fe1 N1 N2 C3 174.6(4) . . . . ?
Fe1 N1 N2 C4 -6.8(6) . . . . ?
Fe1 N1 C1 C2 -172.4(6) . . . . ?
Fe1 N3 C4 N2 0.3(7) . . . . ?
Fe1 N3 C4 C5 176.2(5) . . . . ?
Fe1 N3 C8 N4 1.7(7) . . . . ?
Fe1 N3 C8 C7 -175.2(5) . . . . ?
Fe1 N5 C11 C10 -161.0(6) . . . . ?
N1 Fe1 N3 C4 84.2(5) 2_656 . . . ?
N1 Fe1 N3 C4 -3.2(5) . . . . ?
N1 Fe1 N3 C8 -98.8(5) 2_656 . . . ?
N1 Fe1 N3 C8 173.8(5) . . . . ?
N1 N2 C3 C2 0.9(8) . . . . ?
N1 N2 C4 N3 4.4(7) . . . . ?
N1 N2 C4 C5 -171.3(6) . . . . ?
N1 C1 C2 C3 -0.5(9) . . . . ?
N2 N1 C1 C2 1.0(8) . . . . ?
N2 C4 C5 C6 173.9(6) . . . . ?
N3 C4 C5 C6 -1.3(9) . . . . ?
N4 N5 C11 C10 0.4(8) . . . . ?
N4 C9 C10 C11 -1.0(9) . . . . ?
N5 Fe1 N3 C4 178.5(5) . . . . ?
N5 Fe1 N3 C4 -97.6(5) 2_656 . . . ?
N5 Fe1 N3 C8 79.4(5) 2_656 . . . ?
N5 Fe1 N3 C8 -4.6(5) . . . . ?
N5 N4 C8 N3 4.2(8) . . . . ?
N5 N4 C8 C7 -179.1(7) . . . . ?
N5 N4 C9 C10 1.3(9) . . . . ?
N6 C14 C15 C16 -0.4(10) . . . . ?
N6 C18 C19 N7 2.8(7) . . . . ?
N6 C18 C19 C20 178.5(6) . . . . ?
N7 C19 C20 C21 -0.3(9) . . . . ?
N7 C23 C24 N8 -2.7(7) . . . . ?
N7 C23 C24 C25 174.1(6) . . . . ?
N8 C24 C25 C26 1.5(9) . . . . ?
C1 N1 N2 C3 -1.2(7) . . . . ?
C1 N1 N2 C4 177.4(5) . . . . ?
C1 C2 C3 N2 -0.3(8) . . . . ?
C3 N2 C4 N3 -177.5(7) . . . . ?
C3 N2 C4 C5 6.8(11) . . . . ?
C4 N2 C3 C2 -177.3(7) . . . . ?
C4 N3 C8 N4 178.7(5) . . . . ?
C4 N3 C8 C7 1.8(10) . . . . ?
C4 C5 C6 C7 2.5(9) . . . . ?
C4 C5 C6 C12 -176.6(6) . . . . ?
C5 C6 C7 C8 -1.6(10) . . . . ?
C6 C7 C8 N3 -0.6(11) . . . . ?
C6 C7 C8 N4 -176.9(6) . . . . ?
C8 N3 C4 N2 -176.7(5) . . . . ?
C8 N3 C4 C5 -0.8(9) . . . . ?
C8 N4 N5 Fe1 -7.7(7) . . . . ?
C8 N4 N5 C11 -175.2(6) . . . . ?
C8 N4 C9 C10 174.3(7) . . . . ?
C9 N4 N5 Fe1 166.4(5) . . . . ?
C9 N4 N5 C11 -1.1(8) . . . . ?
C9 N4 C8 N3 -168.4(7) . . . . ?
C9 N4 C8 C7 8.3(12) . . . . ?
C9 C10 C11 N5 0.3(9) . . . . ?
C12 C6 C7 C8 177.4(6) . . . . ?
C14 N6 C18 C17 -3.8(9) . . . . ?
C14 N6 C18 C19 179.1(5) . . . . ?
C14 C15 C16 C17 -3.6(10) . . . . ?
C14 C15 C16 C29 172.4(7) . . . . ?
C15 C16 C17 C18 3.9(10) . . . . ?
C15 C16 C29 C30 -57.5(11) . . . . ?
C15 C16 C29 C31 68.1(11) . . . . ?
C15 C16 C29 C32 -174.6(7) . . . . ?
C16 C17 C18 N6 -0.3(9) . . . . ?
C16 C17 C18 C19 176.4(6) . . . . ?
C17 C16 C29 C30 118.3(9) . . . . ?
C17 C16 C29 C31 -116.2(11) . . . . ?
C17 C16 C29 C32 1.1(11) . . . . ?
C17 C18 C19 N7 -174.0(6) . . . . ?
C17 C18 C19 C20 1.7(10) . . . . ?
C18 N6 C14 C15 4.2(9) . . . . ?
C18 C19 C20 C21 -175.7(6) . . . . ?
C19 N7 C23 C22 3.4(9) . . . . ?
C19 N7 C23 C24 -174.4(5) . . . . ?
C19 C20 C21 C22 1.8(9) . . . . ?
C19 C20 C21 C33 178.9(6) . . . . ?
C20 C21 C22 C23 -0.8(9) . . . . ?
C20 C21 C33 C34 -77.7(8) . . . . ?
C20 C21 C33 C35 42.9(9) . . . . ?
C20 C21 C33 C36 161.7(7) . . . . ?
C21 C22 C23 N7 -1.7(9) . . . . ?
C21 C22 C23 C24 175.6(6) . . . . ?
C22 C21 C33 C34 99.4(8) . . . . ?
C22 C21 C33 C35 -140.1(7) . . . . ?
C22 C21 C33 C36 -21.3(9) . . . . ?
C22 C23 C24 N8 179.8(6) . . . . ?
C22 C23 C24 C25 -3.4(10) . . . . ?
C23 N7 C19 C18 173.8(5) . . . . ?
C23 N7 C19 C20 -2.3(9) . . . . ?
C23 C24 C25 C26 -175.2(6) . . . . ?
C24 N8 C28 C27 -2.9(9) . . . . ?
C24 C25 C26 C27 -4.1(9) . . . . ?
C24 C25 C26 C37 172.4(6) . . . . ?
C25 C26 C27 C28 3.3(10) . . . . ?
C25 C26 C37 C38 -66.0(8) . . . . ?
C25 C26 C37 C39 54.8(9) . . . . ?
C25 C26 C37 C40 175.4(6) . . . . ?
C26 C27 C28 N8 0.1(10) . . . . ?
C27 C26 C37 C38 110.2(8) . . . . ?
C27 C26 C37 C39 -129.0(8) . . . . ?
C27 C26 C37 C40 -8.4(10) . . . . ?
C28 N8 C24 C23 179.0(5) . . . . ?
C28 N8 C24 C25 2.0(9) . . . . ?
C29 C16 C17 C18 -171.9(7) . . . . ?
C33 C21 C22 C23 -177.8(6) . . . . ?
C37 C26 C27 C28 -173.0(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT973_bs67-2              
;
PROBLEM: Check Calcd Positive Residual Density on     Pt1       2.28 eA-3  
RESPONSE: Typical Fourier ripple close to a heavy atom
;
####################################################################### 
# 
# 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_bs-67
_database_code_depnum_ccdc_archive 'CCDC 1510868'
_audit_update_record             
;
2016-12-22 deposited with the CCDC.
2017-01-12 downloaded from the CCDC.
;
_audit_creation_date             2016-12-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.11.30 svn.r3356 for OlexSys, GUI svn.r5269)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C80 H84 Fe N16 Pt2, 4(B F4), 3.5(C H2 Cl2)'
_chemical_formula_sum            'C83.50 H91 B4 Cl7 F16 Fe N16 Pt2'
_chemical_formula_weight         2360.14
_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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Pt Pt -1.7033 8.3905 '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                   16.3344(3)
_cell_length_b                   17.2029(4)
_cell_length_c                   18.5945(4)
_cell_angle_alpha                92.483(2)
_cell_angle_beta                 114.560(2)
_cell_angle_gamma                90.524(2)
_cell_volume                     4745.73(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    30898
_cell_measurement_temperature    180.15
_cell_measurement_theta_max      26.10
_cell_measurement_theta_min      1.40
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.372
_exptl_absorpt_correction_T_max  0.8531
_exptl_absorpt_correction_T_min  0.5704
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'yellowish orange'
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2338
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 -1 -1 0.0585
-1 1 1 0.0491
2 1 0 0.1146
0 1 -2 0.0218
0 -1 2 0.0229
0 -2 -1 0.0833
-2 1 2 0.0552

_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0643
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36901
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.632
_diffrn_reflns_theta_min         1.399
_diffrn_ambient_temperature      180.15
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Bruker rotating anode'
_diffrn_source_current           140
_diffrn_source_power             7.000
_diffrn_source_voltage           50
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12932
_reflns_number_total             17702
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.644
_refine_diff_density_min         -1.198
_refine_diff_density_rms         0.149
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1140
_refine_ls_number_reflns         17702
_refine_ls_number_restraints     84
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0532
_refine_ls_restrained_S_all      0.998
_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)+(0.0835P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1231
_refine_ls_wR_factor_ref         0.1341
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H43A,H43B,H43C} of C43A, {H44A,H44B,H44C} of C44A, {H45A,
  H45B,H45C} of C45A, {H44D,H44E,H44F} of C44B, {H47A,H47B,H47C} of C47A, {H48A,
  H48B,H48C} of C48A, {H49A,H49B,H49C} of C49A, {H47D,H47E,H47F} of C47B, {H48D,
  H48E,H48F} of C48B, {H49D,H49E,H49F} of C49B, {H51A,H51B,H51C} of C51, {H52A,
  H52B,H52C} of C52, {H53A,H53B,H53C} of C53, {H80A,H80B,H80C} of C80, {H79A,
  H79B,H79C} of C79, {H78A,H78B,H78C} of C78, {H76D,H76E,H76F} of C76B, {H75D,
  H75E,H75F} of C75B, {H74D,H74E,H74F} of C74B, {H76A,H76B,H76C} of C76A, {H72D,
  H72E,H72F} of C72B, {H71D,H71E,H71F} of C71B, {H70D,H70E,H70F} of C70B, {H71A,
  H71B,H71C} of C71A, {H70A,H70B,H70C} of C70A, All C(H,H) groups
 At 1.5 times of:
  {H43D,H43E,H43F} of C43B, {H45D,H45E,H45F} of C45B, {H75A,H75B,H75C} of
  C75A, {H74A,H74B,H74C} of C74A, {H72A,H72B,H72C} of C72A
2. Restrained distances
 F9A-F10A = F9A-F11A = F9A-F12A = F10A-F11A = F10A-F12A = F11A-F12A
 2.23 with sigma of 0.05
 B4A-F13A = B4A-F14A = B4A-F15A = B4A-F16A
 1.37 with sigma of 0.03
 B4B-F13B = B4B-F14B = B4B-F15B = B4B-F16B
 1.37 with sigma of 0.03
 F13A-F14A = F13A-F15A = F13A-F16A = F14A-F15A = F14A-F16A = F15A-F16A
 2.23 with sigma of 0.05
 F13B-F14B = F13B-F15B = F13B-F16B = F14B-F15B = F14B-F16B = F15B-F16B
 2.23 with sigma of 0.05
 B3-F9A = B3-F10A = B3-F11A = B3-F12A
 1.37 with sigma of 0.01
 C43B-C45B
 2.51 with sigma of 0.02
 C43B-C42 = C45B-C42 = C44B-C42
 1.54 with sigma of 0.02
 B3-F9B = B3-F10B = B3-F11B = B3-F12B
 1.37 with sigma of 0.01
 F9B-F10B = F9B-F11B = F9B-F12B = F10B-F11B = F10B-F12B = F11B-F12B
 2.23 with sigma of 0.02
 F11B_$1-Cl4
 2.8 with sigma of 0.02
 C74A-C73 = C76A-C73 = C75A-C73
 1.54 with sigma of 0.02
 C76B-C73 = C75B-C73 = C74B-C73
 1.54 with sigma of 0.02
 C83-Cl5 = C83-Cl6
 1.76 with sigma of 0.02
 Cl5-Cl6
 2.9 with sigma of 0.02
 Cl7A-C84A
 1.76 with sigma of 0.02
 Cl8A-C84A
 1.76 with sigma of 0.02
 Cl8A-Cl7A
 2.9 with sigma of 0.02
 Cl8B-Cl7B
 2.9 with sigma of 0.02
 Cl7B-C84B = Cl8B-C84B
 1.76 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(F1) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F8) \\sim Ueq: with sigma of
0.1 and sigma for terminal atoms of 0.2
Uanis(C82) \\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.1
Uiso(F9A) = Uiso(F10A) = Uiso(F11A) = Uiso(F12A) = Uiso(B4A) = Uiso(F13A) =
Uiso(F14A) = Uiso(F15A) = Uiso(F16A) = Uiso(C76A) = Uiso(C75A) = Uiso(C74A)
Uiso(C75B) = Uiso(C74B) = Uiso(C76B)
Uiso(F9B) = Uiso(F10B) = Uiso(F11B) = Uiso(F12B)
Uiso(C70B) = Uiso(C72B) = Uiso(C71B)
Uiso(Cl8A) = Uiso(C84A) = Uiso(Cl7A)
Uiso(Cl6) = Uiso(C83) = Uiso(Cl5)
Uiso(Cl7B) = Uiso(C84B) = Uiso(Cl8B)
4. Others
 Fixed Sof: C43A(0.65) H43A(0.65) H43B(0.65) H43C(0.65) C44A(0.65) H44A(0.65)
 H44B(0.65) H44C(0.65) C45A(0.65) H45A(0.65) H45B(0.65) H45C(0.65) C43B(0.35)
 H43D(0.35) H43E(0.35) H43F(0.35) C44B(0.35) H44D(0.35) H44E(0.35) H44F(0.35)
 C45B(0.35) H45D(0.35) H45E(0.35) H45F(0.35) C47A(0.5) H47A(0.5) H47B(0.5)
 H47C(0.5) C48A(0.5) H48A(0.5) H48B(0.5) H48C(0.5) C49A(0.5) H49A(0.5)
 H49B(0.5) H49C(0.5) C47B(0.5) H47D(0.5) H47E(0.5) H47F(0.5) C48B(0.5)
 H48D(0.5) H48E(0.5) H48F(0.5) C49B(0.5) H49D(0.5) H49E(0.5) H49F(0.5)
 C69A(0.5) C70A(0.5) H70A(0.5) H70B(0.5) H70C(0.5) C71A(0.5) H71A(0.5)
 H71B(0.5) H71C(0.5) C72A(0.5) H72A(0.5) H72B(0.5) H72C(0.5) C69B(0.5)
 C70B(0.5) H70D(0.5) H70E(0.5) H70F(0.5) C71B(0.5) H71D(0.5) H71E(0.5)
 H71F(0.5) C72B(0.5) H72D(0.5) H72E(0.5) H72F(0.5) C74A(0.5) H74A(0.5)
 H74B(0.5) H74C(0.5) C75A(0.5) H75A(0.5) H75B(0.5) H75C(0.5) C76A(0.5)
 H76A(0.5) H76B(0.5) H76C(0.5) C74B(0.5) H74D(0.5) H74E(0.5) H74F(0.5)
 C75B(0.5) H75D(0.5) H75E(0.5) H75F(0.5) C76B(0.5) H76D(0.5) H76E(0.5)
 H76F(0.5) F9A(0.7) F10A(0.7) F11A(0.7) F12A(0.7) F9B(0.3) F10B(0.3) F11B(0.3)
 F12B(0.3) B4A(0.5) F13A(0.5) F14A(0.5) F15A(0.5) F16A(0.5) B4B(0.5) F13B(0.5)
 F14B(0.5) F15B(0.5) F16B(0.5) Cl5(0.5) Cl6(0.5) C83(0.5) H83A(0.5) H83B(0.5)
 Cl8B(0.5) Cl7B(0.5) C84B(0.5) H84A(0.5) H84B(0.5) Cl7A(0.5) C84A(0.5)
 H84C(0.5) H84D(0.5) Cl8A(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C81(H81A,H81B), C82(H82A,H82B), C83(H83A,H83B), C84B(H84A,H84B), C84A(H84C,
 H84D)
5.b Me refined with riding coordinates:
 C43B(H43D,H43E,H43F)
5.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C5(H5), C7(H7), C9(H9), C10(H10), C11(H11), C14(H14),
 C15(H15), C16(H16), C18(H18), C20(H20), C22(H22), C23(H23), C24(H24), C28(H28),
  C33(H33), C35(H35), C38(H38), C40(H40), C41(H41), C54(H54), C55(H55),
 C57(H57), C60(H60), C62(H62), C65(H65), C67(H67), C68(H68)
5.d Idealised Me refined as rotating group:
 C43A(H43A,H43B,H43C), C44A(H44A,H44B,H44C), C45A(H45A,H45B,H45C), C44B(H44D,
 H44E,H44F), C45B(H45D,H45E,H45F), C47A(H47A,H47B,H47C), C48A(H48A,H48B,H48C),
 C49A(H49A,H49B,H49C), C47B(H47D,H47E,H47F), C48B(H48D,H48E,H48F), C49B(H49D,
 H49E,H49F), C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C),
 C70A(H70A,H70B,H70C), C71A(H71A,H71B,H71C), C72A(H72A,H72B,H72C), C70B(H70D,
 H70E,H70F), C71B(H71D,H71E,H71F), C72B(H72D,H72E,H72F), C74A(H74A,H74B,H74C),
 C75A(H75A,H75B,H75C), C76A(H76A,H76B,H76C), C74B(H74D,H74E,H74F), C75B(H75D,
 H75E,H75F), C76B(H76D,H76E,H76F), C78(H78A,H78B,H78C), C79(H79A,H79B,H79C),
 C80(H80A,H80B,H80C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Fe1 Fe 0.72451(8) 0.85848(7) 0.03866(7) 0.0377(3) Uani 1 1 d . . . . .
Pt1 Pt 0.94943(2) 0.58039(2) 0.50336(2) 0.02613(8) Uani 1 1 d . . . . .
Pt2 Pt 0.43512(2) 0.92122(2) -0.51577(2) 0.02772(9) Uani 1 1 d . . . . .
N1 N 0.6283(5) 0.7617(4) 0.0132(4) 0.0405(16) Uani 1 1 d . . . . .
N2 N 0.6531(5) 0.7071(4) 0.0693(4) 0.0376(15) Uani 1 1 d . . . . .
N3 N 0.7728(5) 0.7899(4) 0.1393(4) 0.0330(14) Uani 1 1 d . . . . .
N4 N 0.8806(4) 0.8868(4) 0.1978(4) 0.0346(14) Uani 1 1 d . . . . .
N5 N 0.8340(5) 0.9258(4) 0.1303(4) 0.0407(16) Uani 1 1 d . . . . .
N6 N 0.6454(5) 0.9621(4) 0.0186(4) 0.0466(18) Uani 1 1 d . . . . .
N7 N 0.6007(5) 0.9810(4) -0.0593(4) 0.0416(16) Uani 1 1 d . . . . .
N8 N 0.6767(5) 0.8821(4) -0.0846(4) 0.0401(16) Uani 1 1 d . . . . .
N9 N 0.7752(6) 0.7925(5) -0.0906(5) 0.055(2) Uani 1 1 d . . . . .
N10 N 0.8066(5) 0.7931(5) -0.0103(4) 0.0472(18) Uani 1 1 d . . . . .
N11 N 0.8489(4) 0.5014(4) 0.4868(4) 0.0347(14) Uani 1 1 d . . . . .
N12 N 0.9816(4) 0.5560(3) 0.6134(4) 0.0309(13) Uani 1 1 d . . . . .
N13 N 1.0584(4) 0.6544(3) 0.5578(4) 0.0282(13) Uani 1 1 d . . . . .
N14 N 0.3438(4) 0.9943(4) -0.5067(4) 0.0322(14) Uani 1 1 d . . . . .
N15 N 0.3534(4) 0.9248(3) -0.6282(3) 0.0281(13) Uani 1 1 d . . . . .
N16 N 0.4946(5) 0.8440(4) -0.5628(4) 0.0325(14) Uani 1 1 d . . . . .
C1 C 0.5502(7) 0.7345(6) -0.0425(6) 0.053(2) Uani 1 1 d . . . . .
H1 H 0.5165 0.7598 -0.0899 0.063 Uiso 1 1 calc R . . . .
C2 C 0.5245(8) 0.6649(7) -0.0227(7) 0.068(3) Uani 1 1 d . . . . .
H2 H 0.4711 0.6347 -0.0524 0.081 Uiso 1 1 calc R . . . .
C3 C 0.5926(7) 0.6481(6) 0.0491(6) 0.052(2) Uani 1 1 d . . . . .
H3 H 0.5957 0.6035 0.0784 0.062 Uiso 1 1 calc R . . . .
C4 C 0.7334(5) 0.7214(4) 0.1388(4) 0.0321(16) Uani 1 1 d . . . . .
C5 C 0.7666(6) 0.6713(4) 0.1995(5) 0.0354(17) Uani 1 1 d . . . . .
H5 H 0.7370 0.6228 0.1969 0.042 Uiso 1 1 calc R . . . .
C6 C 0.8457(5) 0.6947(5) 0.2653(4) 0.0328(16) Uani 1 1 d . . . . .
C7 C 0.8878(6) 0.7669(4) 0.2671(4) 0.0337(16) Uani 1 1 d . . . . .
H7 H 0.9419 0.7839 0.3107 0.040 Uiso 1 1 calc R . . . .
C8 C 0.8474(5) 0.8119(4) 0.2030(4) 0.0321(16) Uani 1 1 d . . . . .
C9 C 0.9468(6) 0.9321(5) 0.2515(5) 0.0404(18) Uani 1 1 d . . . . .
H9 H 0.9870 0.9181 0.3029 0.048 Uiso 1 1 calc R . . . .
C10 C 0.9464(6) 1.0017(5) 0.2191(5) 0.043(2) Uani 1 1 d . . . . .
H10 H 0.9863 1.0453 0.2425 0.052 Uiso 1 1 calc R . . . .
C11 C 0.8749(6) 0.9954(5) 0.1445(5) 0.043(2) Uani 1 1 d . . . . .
H11 H 0.8576 1.0358 0.1083 0.052 Uiso 1 1 calc R . . . .
C12 C 0.8820(5) 0.6479(4) 0.3326(4) 0.0317(16) Uani 1 1 d . . . . .
C13 C 0.9102(5) 0.6152(4) 0.3950(5) 0.0322(16) Uani 1 1 d . . . . .
C14 C 0.6289(8) 1.0203(6) 0.0601(6) 0.055(3) Uani 1 1 d . . . . .
H14 H 0.6503 1.0236 0.1161 0.066 Uiso 1 1 calc R . . . .
C15 C 0.5763(8) 1.0755(6) 0.0103(6) 0.062(3) Uani 1 1 d . . . . .
H15 H 0.5562 1.1223 0.0258 0.075 Uiso 1 1 calc R . . . .
C16 C 0.5593(7) 1.0499(5) -0.0645(6) 0.052(2) Uani 1 1 d . . . . .
H16 H 0.5249 1.0753 -0.1117 0.063 Uiso 1 1 calc R . . . .
C17 C 0.6143(5) 0.9351(4) -0.1172(4) 0.0340(16) Uani 1 1 d . . . . .
C18 C 0.5715(6) 0.9451(5) -0.1972(5) 0.0399(18) Uani 1 1 d . . . . .
H18 H 0.5266 0.9829 -0.2176 0.048 Uiso 1 1 calc R . . . .
C19 C 0.5962(6) 0.8978(5) -0.2479(5) 0.0398(18) Uani 1 1 d . . . . .
C20 C 0.6658(7) 0.8447(6) -0.2140(5) 0.048(2) Uani 1 1 d . . . . .
H20 H 0.6865 0.8134 -0.2460 0.058 Uiso 1 1 calc R . . . .
C21 C 0.7019(6) 0.8398(5) -0.1346(5) 0.045(2) Uani 1 1 d . . . . .
C22 C 0.8335(10) 0.7549(10) -0.1142(7) 0.094(5) Uani 1 1 d . . . . .
H22 H 0.8296 0.7486 -0.1666 0.113 Uiso 1 1 calc R . . . .
C23 C 0.9002(11) 0.7275(10) -0.0454(8) 0.101(6) Uani 1 1 d . . . . .
H23 H 0.9505 0.6978 -0.0414 0.121 Uiso 1 1 calc R . . . .
C24 C 0.8788(7) 0.7518(7) 0.0142(6) 0.059(3) Uani 1 1 d . . . . .
H24 H 0.9125 0.7403 0.0679 0.071 Uiso 1 1 calc R . . . .
C25 C 0.5531(6) 0.9058(5) -0.3314(5) 0.0368(17) Uani 1 1 d . . . . .
C26 C 0.5111(5) 0.9124(4) -0.4028(5) 0.0332(16) Uani 1 1 d . . . . .
C27 C 0.7820(5) 0.4778(5) 0.4190(5) 0.0385(18) Uani 1 1 d . . . . .
C28 C 0.7115(6) 0.4287(5) 0.4185(6) 0.047(2) Uani 1 1 d . . . . .
H28 H 0.6638 0.4123 0.3693 0.056 Uiso 1 1 calc R . . . .
C29 C 0.7108(6) 0.4044(5) 0.4872(6) 0.045(2) Uani 1 1 d . . . . .
C30 C 0.7830(6) 0.4270(5) 0.5571(6) 0.044(2) Uani 1 1 d . . . . .
C31 C 0.8520(6) 0.4755(4) 0.5571(5) 0.0343(17) Uani 1 1 d . . . . .
C32 C 0.9299(5) 0.5043(4) 0.6287(5) 0.0346(17) Uani 1 1 d . . . . .
C33 C 0.9514(6) 0.4874(5) 0.7070(5) 0.0396(18) Uani 1 1 d . . . . .
H33 H 0.9149 0.4513 0.7186 0.047 Uiso 1 1 calc R . . . .
C34 C 1.0268(6) 0.5236(5) 0.7686(5) 0.045(2) Uani 1 1 d . . . . .
C35 C 1.0760(6) 0.5791(5) 0.7499(5) 0.0428(19) Uani 1 1 d . . . . .
H35 H 1.1257 0.6063 0.7907 0.051 Uiso 1 1 calc R . . . .
C36 C 1.0519(6) 0.5949(4) 0.6706(5) 0.0334(16) Uani 1 1 d . . . . .
C37 C 1.0944(5) 0.6528(4) 0.6391(4) 0.0321(16) Uani 1 1 d . . . . .
C38 C 1.1623(5) 0.7050(5) 0.6849(5) 0.0361(17) Uani 1 1 d . . . . .
H38 H 1.1877 0.7026 0.7409 0.043 Uiso 1 1 calc R . . . .
C39 C 1.1948(6) 0.7619(4) 0.6502(5) 0.0366(17) Uani 1 1 d . . . . .
C40 C 1.1585(6) 0.7584(5) 0.5677(5) 0.0409(19) Uani 1 1 d . . . . .
H40 H 1.1801 0.7940 0.5415 0.049 Uiso 1 1 calc R . . . .
C41 C 1.0918(5) 0.7043(4) 0.5233(5) 0.0287(15) Uani 1 1 d . . . . .
H41 H 1.0692 0.7026 0.4672 0.034 Uiso 1 1 calc R . . . .
C42 C 0.6292(7) 0.3597(6) 0.4863(7) 0.058(3) Uani 1 1 d D . . . .
C43A C 0.6142(12) 0.2838(9) 0.4415(10) 0.056(4) Uiso 0.65 1 d . . P A 1
H43A H 0.6653 0.2505 0.4684 0.067 Uiso 0.65 1 calc GR . P A 1
H43B H 0.6086 0.2920 0.3879 0.067 Uiso 0.65 1 calc GR . P A 1
H43C H 0.5588 0.2586 0.4387 0.067 Uiso 0.65 1 calc GR . P A 1
C44A C 0.5448(12) 0.4081(10) 0.4514(11) 0.057(4) Uiso 0.65 1 d . . P A 1
H44A H 0.5313 0.4173 0.3960 0.069 Uiso 0.65 1 calc GR . P A 1
H44B H 0.5552 0.4581 0.4816 0.069 Uiso 0.65 1 calc GR . P A 1
H44C H 0.4939 0.3800 0.4542 0.069 Uiso 0.65 1 calc GR . P A 1
C45A C 0.6398(12) 0.3410(10) 0.5728(10) 0.059(4) Uiso 0.65 1 d . . P A 1
H45A H 0.6434 0.3898 0.6033 0.071 Uiso 0.65 1 calc GR . P A 1
H45B H 0.6948 0.3120 0.5994 0.071 Uiso 0.65 1 calc GR . P A 1
H45C H 0.5876 0.3096 0.5688 0.071 Uiso 0.65 1 calc GR . P A 1
C43B C 0.566(4) 0.344(3) 0.3971(16) 0.17(3) Uiso 0.35 1 d D . P A 2
H43D H 0.5168 0.3084 0.3917 0.249 Uiso 0.35 1 calc R . P A 2
H43E H 0.6008 0.3206 0.3698 0.249 Uiso 0.35 1 calc R . P A 2
H43F H 0.5420 0.3933 0.3736 0.249 Uiso 0.35 1 calc R . P A 2
C44B C 0.568(2) 0.4166(17) 0.501(2) 0.066(8) Uiso 0.35 1 d D . P A 2
H44D H 0.5601 0.4610 0.4676 0.079 Uiso 0.35 1 calc GR . P A 2
H44E H 0.5945 0.4349 0.5568 0.079 Uiso 0.35 1 calc GR . P A 2
H44F H 0.5093 0.3911 0.4879 0.079 Uiso 0.35 1 calc GR . P A 2
C45B C 0.661(3) 0.2811(18) 0.523(3) 0.105(14) Uiso 0.35 1 d D . P A 2
H45D H 0.6686 0.2456 0.4834 0.158 Uiso 0.35 1 calc GR . P A 2
H45E H 0.6159 0.2589 0.5385 0.158 Uiso 0.35 1 calc GR . P A 2
H45F H 0.7184 0.2888 0.5691 0.158 Uiso 0.35 1 calc GR . P A 2
C46 C 1.0498(8) 0.5046(7) 0.8547(6) 0.060(3) Uani 1 1 d . . . . .
C47A C 0.9620(14) 0.5282(11) 0.8709(11) 0.044(4) Uiso 0.5 1 d . . P B 1
H47A H 0.9120 0.4913 0.8411 0.053 Uiso 0.5 1 calc GR . P B 1
H47B H 0.9444 0.5808 0.8536 0.053 Uiso 0.5 1 calc GR . P B 1
H47C H 0.9769 0.5265 0.9276 0.053 Uiso 0.5 1 calc GR . P B 1
C48A C 1.0710(18) 0.4260(13) 0.8674(14) 0.056(5) Uiso 0.5 1 d . . P B 1
H48A H 1.1258 0.4155 0.8597 0.067 Uiso 0.5 1 calc GR . P B 1
H48B H 1.0212 0.3929 0.8297 0.067 Uiso 0.5 1 calc GR . P B 1
H48C H 1.0809 0.4147 0.9215 0.067 Uiso 0.5 1 calc GR . P B 1
C49A C 1.1209(18) 0.5638(15) 0.9150(15) 0.069(6) Uiso 0.5 1 d . . P B 1
H49A H 1.0976 0.6165 0.9061 0.083 Uiso 0.5 1 calc GR . P B 1
H49B H 1.1769 0.5617 0.9075 0.083 Uiso 0.5 1 calc GR . P B 1
H49C H 1.1330 0.5505 0.9691 0.083 Uiso 0.5 1 calc GR . P B 1
C47B C 1.006(2) 0.5509(16) 0.8866(16) 0.072(6) Uiso 0.5 1 d . . P B 2
H47D H 0.9413 0.5497 0.8511 0.086 Uiso 0.5 1 calc GR . P B 2
H47E H 1.0299 0.6044 0.8937 0.086 Uiso 0.5 1 calc GR . P B 2
H47F H 1.0136 0.5322 0.9380 0.086 Uiso 0.5 1 calc GR . P B 2
C48B C 1.032(2) 0.4127(17) 0.8569(19) 0.078(8) Uiso 0.5 1 d . . P B 2
H48D H 1.0662 0.3837 0.8321 0.094 Uiso 0.5 1 calc GR . P B 2
H48E H 0.9679 0.4000 0.8278 0.094 Uiso 0.5 1 calc GR . P B 2
H48F H 1.0524 0.3984 0.9119 0.094 Uiso 0.5 1 calc GR . P B 2
C49B C 1.156(2) 0.511(2) 0.905(2) 0.100(9) Uiso 0.5 1 d . . P B 2
H49D H 1.1784 0.5635 0.9045 0.120 Uiso 0.5 1 calc GR . P B 2
H49E H 1.1856 0.4736 0.8825 0.120 Uiso 0.5 1 calc GR . P B 2
H49F H 1.1707 0.4981 0.9602 0.120 Uiso 0.5 1 calc GR . P B 2
C50 C 1.2621(6) 0.8264(5) 0.7009(6) 0.047(2) Uani 1 1 d . . . . .
C51 C 1.2102(9) 0.8774(8) 0.7384(8) 0.081(4) Uani 1 1 d . . . . .
H51A H 1.1932 0.8461 0.7732 0.097 Uiso 1 1 calc GR . . . .
H51B H 1.1557 0.8966 0.6963 0.097 Uiso 1 1 calc GR . . . .
H51C H 1.2488 0.9217 0.7693 0.097 Uiso 1 1 calc GR . . . .
C52 C 1.3436(9) 0.7930(7) 0.7641(8) 0.076(4) Uani 1 1 d . . . . .
H52A H 1.3787 0.7657 0.7395 0.091 Uiso 1 1 calc GR . . . .
H52B H 1.3246 0.7564 0.7935 0.091 Uiso 1 1 calc GR . . . .
H52C H 1.3808 0.8352 0.8004 0.091 Uiso 1 1 calc GR . . . .
C53 C 1.2920(9) 0.8796(7) 0.6523(8) 0.073(3) Uani 1 1 d . . . . .
H53A H 1.2389 0.8988 0.6088 0.087 Uiso 1 1 calc GR . . . .
H53B H 1.3286 0.8505 0.6306 0.087 Uiso 1 1 calc GR . . . .
H53C H 1.3277 0.9238 0.6862 0.087 Uiso 1 1 calc GR . . . .
C54 C 0.3431(5) 1.0281(4) -0.4407(5) 0.0328(16) Uani 1 1 d . . . . .
H54 H 0.3929 1.0214 -0.3916 0.039 Uiso 1 1 calc R . . . .
C55 C 0.2735(6) 1.0720(5) -0.4412(5) 0.0393(18) Uani 1 1 d . . . . .
H55 H 0.2757 1.0946 -0.3929 0.047 Uiso 1 1 calc R . . . .
C56 C 0.1992(6) 1.0840(5) -0.5120(5) 0.046(2) Uani 1 1 d . . . . .
C57 C 0.2033(6) 1.0522(5) -0.5809(5) 0.044(2) Uani 1 1 d . . . . .
H57 H 0.1559 1.0614 -0.6308 0.053 Uiso 1 1 calc R . . . .
C58 C 0.2736(6) 1.0081(5) -0.5783(5) 0.0357(17) Uani 1 1 d . . . . .
C59 C 0.2801(5) 0.9684(5) -0.6477(5) 0.0350(17) Uani 1 1 d . . . . .
C60 C 0.2191(6) 0.9704(5) -0.7274(5) 0.0394(18) Uani 1 1 d . . . . .
H60 H 0.1680 1.0021 -0.7421 0.047 Uiso 1 1 calc R . . . .
C61 C 0.2338(6) 0.9254(5) -0.7855(5) 0.0426(19) Uani 1 1 d . . . . .
C62 C 0.3102(6) 0.8799(5) -0.7617(4) 0.0345(17) Uani 1 1 d . . . . .
H62 H 0.3218 0.8491 -0.7998 0.041 Uiso 1 1 calc R . . . .
C63 C 0.3695(5) 0.8798(4) -0.6815(4) 0.0322(16) Uani 1 1 d . . . . .
C64 C 0.4492(5) 0.8312(4) -0.6437(5) 0.0312(16) Uani 1 1 d . . . . .
C65 C 0.4754(5) 0.7746(5) -0.6828(5) 0.0341(16) Uani 1 1 d . . . . .
H65 H 0.4440 0.7677 -0.7387 0.041 Uiso 1 1 calc R . . . .
C66 C 0.5480(6) 0.7259(5) -0.6425(5) 0.0392(18) Uani 1 1 d . . . . .
C67 C 0.5925(6) 0.7427(5) -0.5617(5) 0.0413(19) Uani 1 1 d . . . . .
H67 H 0.6438 0.7138 -0.5316 0.050 Uiso 1 1 calc R . . . .
C68 C 0.5641(5) 0.8005(4) -0.5236(5) 0.0350(17) Uani 1 1 d . . . . .
H68 H 0.5954 0.8091 -0.4679 0.042 Uiso 1 1 calc R . . . .
C69A C 0.1154(12) 1.1165(11) -0.5038(11) 0.034(4) Uiso 0.5 1 d . . P C 1
C70A C 0.0404(15) 1.1211(13) -0.5887(13) 0.052(5) Uiso 0.5 1 d . . P C 1
H70A H 0.0219 1.0684 -0.6126 0.062 Uiso 0.5 1 calc GR . P C 1
H70B H 0.0634 1.1504 -0.6208 0.062 Uiso 0.5 1 calc GR . P C 1
H70C H -0.0114 1.1474 -0.5862 0.062 Uiso 0.5 1 calc GR . P C 1
C71A C 0.0921(17) 1.0852(14) -0.4450(14) 0.065(6) Uiso 0.5 1 d . . P C 1
H71A H 0.1429 1.0928 -0.3931 0.078 Uiso 0.5 1 calc GR . P C 1
H71B H 0.0775 1.0294 -0.4573 0.078 Uiso 0.5 1 calc GR . P C 1
H71C H 0.0396 1.1118 -0.4442 0.078 Uiso 0.5 1 calc GR . P C 1
C72A C 0.1485(16) 1.2050(12) -0.4740(14) 0.059(5) Uiso 0.5 1 d . . P C 1
H72A H 0.1963 1.2061 -0.4202 0.088 Uiso 0.5 1 calc GR . P C 1
H72B H 0.0977 1.2350 -0.4741 0.088 Uiso 0.5 1 calc GR . P C 1
H72C H 0.1716 1.2279 -0.5096 0.088 Uiso 0.5 1 calc GR . P C 1
C69B C 0.1229(13) 1.1391(12) -0.5188(11) 0.037(4) Uiso 0.5 1 d . . P C 2
C70B C 0.028(3) 1.094(2) -0.574(2) 0.099(6) Uiso 0.5 1 d . . P C 2
H70D H 0.0235 1.0458 -0.5501 0.119 Uiso 0.5 1 calc GR . P C 2
H70E H 0.0261 1.0827 -0.6267 0.119 Uiso 0.5 1 calc GR . P C 2
H70F H -0.0216 1.1277 -0.5781 0.119 Uiso 0.5 1 calc GR . P C 2
C71B C 0.118(2) 1.154(2) -0.441(2) 0.099(6) Uiso 0.5 1 d . . P C 2
H71D H 0.1708 1.1856 -0.4060 0.119 Uiso 0.5 1 calc GR . P C 2
H71E H 0.1182 1.1039 -0.4176 0.119 Uiso 0.5 1 calc GR . P C 2
H71F H 0.0632 1.1810 -0.4491 0.119 Uiso 0.5 1 calc GR . P C 2
C72B C 0.136(2) 1.2200(19) -0.544(2) 0.099(6) Uiso 0.5 1 d . . P C 2
H72D H 0.0976 1.2566 -0.5304 0.119 Uiso 0.5 1 calc GR . P C 2
H72E H 0.1185 1.2184 -0.6007 0.119 Uiso 0.5 1 calc GR . P C 2
H72F H 0.1989 1.2372 -0.5154 0.119 Uiso 0.5 1 calc GR . P C 2
C73 C 0.1638(6) 0.9246(6) -0.8711(5) 0.052(2) Uani 1 1 d D . . . .
C74A C 0.153(3) 1.0096(14) -0.899(3) 0.1094(16) Uiso 0.5 1 d D . P D 1
H74A H 0.1303 1.0419 -0.8674 0.164 Uiso 0.5 1 calc GR . P D 1
H74B H 0.1109 1.0095 -0.9551 0.164 Uiso 0.5 1 calc GR . P D 1
H74C H 0.2119 1.0307 -0.8929 0.164 Uiso 0.5 1 calc GR . P D 1
C75A C 0.091(2) 0.8625(18) -0.884(3) 0.1094(16) Uiso 0.5 1 d D . P D 1
H75A H 0.1140 0.8108 -0.8869 0.164 Uiso 0.5 1 calc GR . P D 1
H75B H 0.0382 0.8708 -0.9336 0.164 Uiso 0.5 1 calc GR . P D 1
H75C H 0.0727 0.8662 -0.8398 0.164 Uiso 0.5 1 calc GR . P D 1
C76A C 0.197(3) 0.884(2) -0.929(2) 0.1094(16) Uiso 0.5 1 d D . P D 1
H76A H 0.1970 0.8281 -0.9231 0.131 Uiso 0.5 1 calc GR . P D 1
H76B H 0.2578 0.9036 -0.9172 0.131 Uiso 0.5 1 calc GR . P D 1
H76C H 0.1564 0.8960 -0.9832 0.131 Uiso 0.5 1 calc GR . P D 1
C74B C 0.1192(17) 1.0059(11) -0.8933(16) 0.064(4) Uiso 0.5 1 d D . P D 2
H74D H 0.1635 1.0434 -0.8955 0.077 Uiso 0.5 1 calc GR . P D 2
H74E H 0.0986 1.0243 -0.8532 0.077 Uiso 0.5 1 calc GR . P D 2
H74F H 0.0678 1.0006 -0.9451 0.077 Uiso 0.5 1 calc GR . P D 2
C75B C 0.0754(13) 0.8910(13) -0.8790(16) 0.064(4) Uiso 0.5 1 d D . P D 2
H75D H 0.0547 0.9210 -0.8441 0.077 Uiso 0.5 1 calc GR . P D 2
H75E H 0.0828 0.8367 -0.8641 0.077 Uiso 0.5 1 calc GR . P D 2
H75F H 0.0310 0.8932 -0.9340 0.077 Uiso 0.5 1 calc GR . P D 2
C76B C 0.2057(19) 0.9115(14) -0.9296(15) 0.064(4) Uiso 0.5 1 d D . P D 2
H76D H 0.2366 0.8620 -0.9203 0.077 Uiso 0.5 1 calc GR . P D 2
H76E H 0.2492 0.9541 -0.9226 0.077 Uiso 0.5 1 calc GR . P D 2
H76F H 0.1585 0.9102 -0.9837 0.077 Uiso 0.5 1 calc GR . P D 2
C77 C 0.5735(6) 0.6560(5) -0.6812(6) 0.045(2) Uani 1 1 d . . . . .
C78 C 0.5385(9) 0.5826(6) -0.6565(8) 0.065(3) Uani 1 1 d . . . . .
H78A H 0.4728 0.5839 -0.6761 0.078 Uiso 1 1 calc GR . . . .
H78B H 0.5655 0.5814 -0.5986 0.078 Uiso 1 1 calc GR . . . .
H78C H 0.5550 0.5360 -0.6792 0.078 Uiso 1 1 calc GR . . . .
C79 C 0.6742(7) 0.6529(6) -0.6548(7) 0.056(2) Uani 1 1 d . . . . .
H79A H 0.7035 0.6482 -0.5973 0.067 Uiso 1 1 calc GR . . . .
H79B H 0.6962 0.7007 -0.6686 0.067 Uiso 1 1 calc GR . . . .
H79C H 0.6882 0.6078 -0.6813 0.067 Uiso 1 1 calc GR . . . .
C80 C 0.5290(9) 0.6579(7) -0.7721(7) 0.070(3) Uani 1 1 d . . . . .
H80A H 0.5418 0.6098 -0.7954 0.084 Uiso 1 1 calc GR . . . .
H80B H 0.5533 0.7027 -0.7886 0.084 Uiso 1 1 calc GR . . . .
H80C H 0.4638 0.6623 -0.7903 0.084 Uiso 1 1 calc GR . . . .
B1 B 0.6363(9) 0.8793(6) 0.2237(6) 0.054(3) Uani 1 1 d . . . . .
F1 F 0.5953(6) 0.8439(5) 0.1518(4) 0.110(4) Uani 1 1 d . U . . .
F2 F 0.6866(5) 0.8267(4) 0.2775(4) 0.078(2) Uani 1 1 d . . . . .
F3 F 0.5781(6) 0.9148(6) 0.2485(4) 0.107(3) Uani 1 1 d . U . . .
B2 B 0.6624(8) 0.4448(6) 0.1863(7) 0.052(3) Uani 1 1 d . . . . .
F4 F 0.6942(9) 0.9337(6) 0.2209(8) 0.143(4) Uani 1 1 d . . . . .
F5 F 0.6910(5) 0.3839(4) 0.1533(5) 0.085(2) Uani 1 1 d . . . . .
F6 F 0.6181(7) 0.4130(6) 0.2259(5) 0.111(3) Uani 1 1 d . . . . .
F7 F 0.7353(5) 0.4899(4) 0.2366(4) 0.0759(19) Uani 1 1 d . . . . .
F8 F 0.6061(6) 0.4879(4) 0.1279(5) 0.110(3) Uani 1 1 d . U . . .
B3 B 0.9740(9) 0.7998(7) -0.2062(8) 0.128(8) Uiso 1 1 d D . . . .
F9A F 0.9641(10) 0.7244(7) -0.1884(9) 0.1094(16) Uiso 0.7 1 d D . P E 1
F10A F 0.8967(8) 0.8414(8) -0.2408(8) 0.1094(16) Uiso 0.7 1 d D . P E 1
F11A F 1.0275(9) 0.7918(8) -0.2477(8) 0.1094(16) Uiso 0.7 1 d D . P E 1
F12A F 1.0206(10) 0.8388(8) -0.1336(7) 0.1094(16) Uiso 0.7 1 d D . P E 1
F9B F 0.958(3) 0.837(2) -0.147(2) 0.215(13) Uiso 0.3 1 d D . P E 2
F10B F 0.936(3) 0.843(2) -0.2720(18) 0.215(13) Uiso 0.3 1 d D . P E 2
F11B F 1.0619(11) 0.790(3) -0.188(2) 0.215(13) Uiso 0.3 1 d D . P E 2
F12B F 0.930(3) 0.7281(14) -0.224(3) 0.215(13) Uiso 0.3 1 d D . P E 2
B4A B 0.8654(19) 0.1950(17) 0.6326(17) 0.1094(16) Uiso 0.5 1 d D . P F 1
F13A F 0.7772(12) 0.1745(11) 0.5876(11) 0.1094(16) Uiso 0.5 1 d D . P F 1
F14A F 0.8870(13) 0.1725(11) 0.7073(11) 0.1094(16) Uiso 0.5 1 d D . P F 1
F15A F 0.9184(14) 0.1590(12) 0.6006(12) 0.1094(16) Uiso 0.5 1 d D . P F 1
F16A F 0.8764(14) 0.2739(11) 0.6282(13) 0.1094(16) Uiso 0.5 1 d D . P F 1
B4B B 0.8734(12) 0.2238(10) 0.6720(11) 0.044(4) Uiso 0.5 1 d D . P G 2
F13B F 0.8833(11) 0.2998(8) 0.6598(10) 0.084(4) Uiso 0.5 1 d D . P G 2
F14B F 0.7904(9) 0.2076(8) 0.6669(9) 0.081(4) Uiso 0.5 1 d D . P G 2
F15B F 0.9364(9) 0.2124(8) 0.7500(7) 0.067(3) Uiso 0.5 1 d D . P G 2
F16B F 0.8956(12) 0.1774(10) 0.6214(10) 0.089(5) Uiso 0.5 1 d D . P G 2
Cl1 Cl 1.2954(5) 0.4120(6) 1.0801(6) 0.214(4) Uani 1 1 d . . . . .
Cl2 Cl 1.4150(6) 0.3422(6) 1.2173(5) 0.205(4) Uani 1 1 d . . . . .
C81 C 1.3954(16) 0.4315(14) 1.1586(17) 0.161(10) Uani 1 1 d . . . . .
H81A H 1.3920 0.4782 1.1903 0.193 Uiso 1 1 calc R . . . .
H81B H 1.4441 0.4401 1.1410 0.193 Uiso 1 1 calc R . . . .
Cl3 Cl 0.3758(6) 0.7548(4) -0.9321(5) 0.166(3) Uani 1 1 d . . . . .
Cl4 Cl 0.2226(8) 0.7576(6) -1.0735(5) 0.225(4) Uani 1 1 d D . . . .
C82 C 0.2996(17) 0.703(2) -1.005(2) 0.224(16) Uani 1 1 d . U . . .
H82A H 0.2680 0.6680 -0.9831 0.269 Uiso 1 1 calc R . . . .
H82B H 0.3297 0.6699 -1.0310 0.269 Uiso 1 1 calc R . . . .
Cl5 Cl 0.1396(12) 0.6592(11) -0.9097(10) 0.202(5) Uiso 0.5 1 d D . P H 1
Cl6 Cl 0.2582(12) 0.5816(11) -0.7657(10) 0.202(5) Uiso 0.5 1 d D . P H 1
C83 C 0.245(3) 0.661(2) -0.824(2) 0.202(5) Uiso 0.5 1 d D . P H 1
H83A H 0.2944 0.6624 -0.8419 0.243 Uiso 0.5 1 calc R . P H 1
H83B H 0.2501 0.7095 -0.7918 0.243 Uiso 0.5 1 calc R . P H 1
Cl8B Cl 0.273(2) 0.456(2) -0.701(2) 0.346(11) Uiso 0.5 1 d D . P I 2
Cl7B Cl 0.211(3) 0.346(2) -0.621(2) 0.346(11) Uiso 0.5 1 d D . P I 2
C84B C 0.278(7) 0.358(3) -0.674(7) 0.346(11) Uiso 0.5 1 d D . P I 2
H84A H 0.2551 0.3222 -0.7216 0.415 Uiso 0.5 1 calc R . P I 2
H84B H 0.3408 0.3451 -0.6404 0.415 Uiso 0.5 1 calc R . P I 2
Cl7A Cl 0.2363(11) 0.2377(8) -0.6553(10) 0.179(4) Uiso 0.5 1 d D . P J 1
C84A C 0.217(4) 0.3363(13) -0.6870(19) 0.179(4) Uiso 0.5 1 d D . P J 1
H84C H 0.2374 0.3441 -0.7296 0.215 Uiso 0.5 1 calc R . P J 1
H84D H 0.1525 0.3479 -0.7070 0.215 Uiso 0.5 1 calc R . P J 1
Cl8A Cl 0.2804(12) 0.3962(9) -0.6031(10) 0.179(4) Uiso 0.5 1 d D . P J 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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Fe1 N1 2.175(8) . ?
Fe1 N3 2.121(6) . ?
Fe1 N5 2.168(7) . ?
Fe1 N6 2.165(7) . ?
Fe1 N8 2.151(7) . ?
Fe1 N10 2.202(8) . ?
Pt1 N11 2.034(7) . ?
Pt1 N12 1.955(6) . ?
Pt1 N13 2.040(6) . ?
Pt1 C13 1.967(8) . ?
Pt2 N14 2.015(7) . ?
Pt2 N15 1.962(6) . ?
Pt2 N16 2.026(6) . ?
Pt2 C26 1.960(8) . ?
N1 N2 1.370(9) . ?
N1 C1 1.329(12) . ?
N2 C3 1.337(11) . ?
N2 C4 1.418(10) . ?
N3 C4 1.334(10) . ?
N3 C8 1.336(10) . ?
N4 N5 1.377(9) . ?
N4 C8 1.416(10) . ?
N4 C9 1.339(11) . ?
N5 C11 1.326(11) . ?
N6 N7 1.379(9) . ?
N6 C14 1.335(12) . ?
N7 C16 1.357(11) . ?
N7 C17 1.400(11) . ?
N8 C17 1.336(10) . ?
N8 C21 1.352(11) . ?
N9 N10 1.361(11) . ?
N9 C21 1.424(11) . ?
N9 C22 1.361(13) . ?
N10 C24 1.304(12) . ?
N11 C27 1.323(11) . ?
N11 C31 1.381(10) . ?
N12 C32 1.339(10) . ?
N12 C36 1.345(11) . ?
N13 C37 1.376(10) . ?
N13 C41 1.332(10) . ?
N14 C54 1.341(10) . ?
N14 C58 1.381(10) . ?
N15 C59 1.343(10) . ?
N15 C63 1.343(10) . ?
N16 C64 1.379(10) . ?
N16 C68 1.325(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.380(15) . ?
C2 H2 0.9500 . ?
C2 C3 1.381(14) . ?
C3 H3 0.9500 . ?
C4 C5 1.376(11) . ?
C5 H5 0.9500 . ?
C5 C6 1.400(11) . ?
C6 C7 1.408(11) . ?
C6 C12 1.431(10) . ?
C7 H7 0.9500 . ?
C7 C8 1.375(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.363(12) . ?
C10 H10 0.9500 . ?
C10 C11 1.392(12) . ?
C11 H11 0.9500 . ?
C12 C13 1.220(11) . ?
C14 H14 0.9500 . ?
C14 C15 1.389(14) . ?
C15 H15 0.9500 . ?
C15 C16 1.352(14) . ?
C16 H16 0.9500 . ?
C17 C18 1.377(11) . ?
C18 H18 0.9500 . ?
C18 C19 1.403(12) . ?
C19 C20 1.413(12) . ?
C19 C25 1.428(11) . ?
C20 H20 0.9500 . ?
C20 C21 1.349(12) . ?
C22 H22 0.9500 . ?
C22 C23 1.397(16) . ?
C23 H23 0.9500 . ?
C23 C24 1.344(16) . ?
C24 H24 0.9500 . ?
C25 C26 1.225(11) . ?
C27 C28 1.419(12) . ?
C28 H28 0.9500 . ?
C28 C29 1.365(14) . ?
C29 C30 1.381(14) . ?
C29 C42 1.526(13) . ?
C30 C31 1.396(11) . ?
C31 C32 1.471(12) . ?
C32 C33 1.392(11) . ?
C33 H33 0.9500 . ?
C33 C34 1.404(13) . ?
C34 C35 1.388(13) . ?
C34 C46 1.536(11) . ?
C35 H35 0.9500 . ?
C35 C36 1.399(11) . ?
C36 C37 1.480(11) . ?
C37 C38 1.376(11) . ?
C38 H38 0.9500 . ?
C38 C39 1.411(12) . ?
C39 C40 1.393(12) . ?
C39 C50 1.534(12) . ?
C40 H40 0.9500 . ?
C40 C41 1.379(11) . ?
C41 H41 0.9500 . ?
C42 C43A 1.480(18) . ?
C42 C44A 1.530(19) . ?
C42 C45A 1.59(2) . ?
C42 C43B 1.555(19) . ?
C42 C44B 1.502(18) . ?
C42 C45B 1.533(19) . ?
C43A H43A 0.9800 . ?
C43A H43B 0.9800 . ?
C43A H43C 0.9800 . ?
C44A H44A 0.9800 . ?
C44A H44B 0.9800 . ?
C44A H44C 0.9800 . ?
C45A H45A 0.9800 . ?
C45A H45B 0.9800 . ?
C45A H45C 0.9800 . ?
C43B H43D 0.9800 . ?
C43B H43E 0.9800 . ?
C43B H43F 0.9800 . ?
C44B H44D 0.9800 . ?
C44B H44E 0.9800 . ?
C44B H44F 0.9800 . ?
C45B H45D 0.9800 . ?
C45B H45E 0.9800 . ?
C45B H45F 0.9800 . ?
C46 C47A 1.63(2) . ?
C46 C48A 1.40(2) . ?
C46 C49A 1.56(3) . ?
C46 C47B 1.35(3) . ?
C46 C48B 1.61(3) . ?
C46 C49B 1.60(4) . ?
C47A H47A 0.9800 . ?
C47A H47B 0.9800 . ?
C47A H47C 0.9800 . ?
C48A H48A 0.9800 . ?
C48A H48B 0.9800 . ?
C48A H48C 0.9800 . ?
C49A H49A 0.9800 . ?
C49A H49B 0.9800 . ?
C49A H49C 0.9800 . ?
C47B H47D 0.9800 . ?
C47B H47E 0.9800 . ?
C47B H47F 0.9800 . ?
C48B H48D 0.9800 . ?
C48B H48E 0.9800 . ?
C48B H48F 0.9800 . ?
C49B H49D 0.9800 . ?
C49B H49E 0.9800 . ?
C49B H49F 0.9800 . ?
C50 C51 1.559(15) . ?
C50 C52 1.502(15) . ?
C50 C53 1.525(15) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54 0.9500 . ?
C54 C55 1.367(11) . ?
C55 H55 0.9500 . ?
C55 C56 1.395(12) . ?
C56 C57 1.399(12) . ?
C56 C69A 1.545(19) . ?
C56 C69B 1.54(2) . ?
C57 H57 0.9500 . ?
C57 C58 1.367(12) . ?
C58 C59 1.478(11) . ?
C59 C60 1.403(11) . ?
C60 H60 0.9500 . ?
C60 C61 1.402(12) . ?
C61 C62 1.398(12) . ?
C61 C73 1.525(12) . ?
C62 H62 0.9500 . ?
C62 C63 1.400(10) . ?
C63 C64 1.483(10) . ?
C64 C65 1.366(11) . ?
C65 H65 0.9500 . ?
C65 C66 1.416(11) . ?
C66 C67 1.386(13) . ?
C66 C77 1.523(11) . ?
C67 H67 0.9500 . ?
C67 C68 1.388(12) . ?
C68 H68 0.9500 . ?
C69A C70A 1.55(3) . ?
C69A C71A 1.42(3) . ?
C69A C72A 1.61(3) . ?
C70A H70A 0.9800 . ?
C70A H70B 0.9800 . ?
C70A H70C 0.9800 . ?
C71A H71A 0.9800 . ?
C71A H71B 0.9800 . ?
C71A H71C 0.9800 . ?
C72A H72A 0.9800 . ?
C72A H72B 0.9800 . ?
C72A H72C 0.9800 . ?
C69B C70B 1.62(4) . ?
C69B C71B 1.48(4) . ?
C69B C72B 1.52(4) . ?
C70B H70D 0.9800 . ?
C70B H70E 0.9800 . ?
C70B H70F 0.9800 . ?
C71B H71D 0.9800 . ?
C71B H71E 0.9800 . ?
C71B H71F 0.9800 . ?
C72B H72D 0.9800 . ?
C72B H72E 0.9800 . ?
C72B H72F 0.9800 . ?
C73 C74A 1.561(18) . ?
C73 C75A 1.532(18) . ?
C73 C76A 1.530(18) . ?
C73 C74B 1.573(16) . ?
C73 C75B 1.497(16) . ?
C73 C76B 1.518(16) . ?
C74A H74A 0.9800 . ?
C74A H74B 0.9800 . ?
C74A H74C 0.9800 . ?
C75A H75A 0.9800 . ?
C75A H75B 0.9800 . ?
C75A H75C 0.9800 . ?
C76A H76A 0.9800 . ?
C76A H76B 0.9800 . ?
C76A H76C 0.9800 . ?
C74B H74D 0.9800 . ?
C74B H74E 0.9800 . ?
C74B H74F 0.9800 . ?
C75B H75D 0.9800 . ?
C75B H75E 0.9800 . ?
C75B H75F 0.9800 . ?
C76B H76D 0.9800 . ?
C76B H76E 0.9800 . ?
C76B H76F 0.9800 . ?
C77 C78 1.545(14) . ?
C77 C79 1.510(14) . ?
C77 C80 1.540(14) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
B1 F1 1.336(13) . ?
B1 F2 1.380(12) . ?
B1 F3 1.356(14) . ?
B1 F4 1.344(17) . ?
B2 F5 1.372(14) . ?
B2 F6 1.355(15) . ?
B2 F7 1.374(12) . ?
B2 F8 1.352(13) . ?
B3 F9A 1.379(9) . ?
B3 F10A 1.378(9) . ?
B3 F11A 1.390(9) . ?
B3 F12A 1.383(9) . ?
B3 F9B 1.369(9) . ?
B3 F10B 1.376(9) . ?
B3 F11B 1.344(9) . ?
B3 F12B 1.377(10) . ?
B4A F13A 1.36(3) . ?
B4A F14A 1.36(2) . ?
B4A F15A 1.38(3) . ?
B4A F16A 1.38(3) . ?
B4B F13B 1.36(2) . ?
B4B F14B 1.345(19) . ?
B4B F15B 1.410(19) . ?
B4B F16B 1.369(19) . ?
Cl1 C81 1.70(2) . ?
Cl2 C81 1.88(3) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
Cl3 C82 1.63(3) . ?
Cl4 C82 1.70(3) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
Cl5 C83 1.79(2) . ?
Cl6 C83 1.74(2) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
Cl8B C84B 1.77(2) . ?
Cl7B C84B 1.76(2) . ?
C84B H84A 0.9900 . ?
C84B H84B 0.9900 . ?
Cl7A C84A 1.81(2) . ?
C84A H84C 0.9900 . ?
C84A H84D 0.9900 . ?
C84A Cl8A 1.75(2) . ?

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
N1 Fe1 N10 92.6(3) . . ?
N3 Fe1 N1 73.3(2) . . ?
N3 Fe1 N5 73.8(2) . . ?
N3 Fe1 N6 128.9(3) . . ?
N3 Fe1 N8 156.6(3) . . ?
N3 Fe1 N10 90.0(3) . . ?
N5 Fe1 N1 145.6(3) . . ?
N5 Fe1 N10 97.1(3) . . ?
N6 Fe1 N1 105.3(3) . . ?
N6 Fe1 N5 87.8(3) . . ?
N6 Fe1 N10 140.2(3) . . ?
N8 Fe1 N1 92.2(3) . . ?
N8 Fe1 N5 122.2(3) . . ?
N8 Fe1 N6 72.0(3) . . ?
N8 Fe1 N10 72.1(3) . . ?
N11 Pt1 N13 161.1(3) . . ?
N12 Pt1 N11 80.5(3) . . ?
N12 Pt1 N13 80.7(2) . . ?
N12 Pt1 C13 173.5(3) . . ?
C13 Pt1 N11 100.2(3) . . ?
C13 Pt1 N13 98.2(3) . . ?
N14 Pt2 N16 160.6(3) . . ?
N15 Pt2 N14 80.6(2) . . ?
N15 Pt2 N16 80.2(3) . . ?
C26 Pt2 N14 98.8(3) . . ?
C26 Pt2 N15 176.1(3) . . ?
C26 Pt2 N16 100.1(3) . . ?
N2 N1 Fe1 114.7(5) . . ?
C1 N1 Fe1 140.6(6) . . ?
C1 N1 N2 104.7(7) . . ?
N1 N2 C4 118.1(7) . . ?
C3 N2 N1 111.7(7) . . ?
C3 N2 C4 130.1(7) . . ?
C4 N3 Fe1 121.2(5) . . ?
C4 N3 C8 118.3(6) . . ?
C8 N3 Fe1 120.4(5) . . ?
N5 N4 C8 117.6(6) . . ?
C9 N4 N5 111.0(6) . . ?
C9 N4 C8 131.0(7) . . ?
N4 N5 Fe1 114.5(5) . . ?
C11 N5 Fe1 141.0(6) . . ?
C11 N5 N4 104.5(7) . . ?
N7 N6 Fe1 115.9(5) . . ?
C14 N6 Fe1 139.3(6) . . ?
C14 N6 N7 104.6(7) . . ?
N6 N7 C17 118.0(6) . . ?
C16 N7 N6 110.9(7) . . ?
C16 N7 C17 130.4(7) . . ?
C17 N8 Fe1 121.4(5) . . ?
C17 N8 C21 116.3(7) . . ?
C21 N8 Fe1 122.0(5) . . ?
N10 N9 C21 119.9(7) . . ?
C22 N9 N10 109.8(8) . . ?
C22 N9 C21 129.1(8) . . ?
N9 N10 Fe1 114.5(5) . . ?
C24 N10 Fe1 139.2(7) . . ?
C24 N10 N9 106.3(8) . . ?
C27 N11 Pt1 127.5(6) . . ?
C27 N11 C31 119.7(7) . . ?
C31 N11 Pt1 112.7(5) . . ?
C32 N12 Pt1 118.6(5) . . ?
C32 N12 C36 122.9(7) . . ?
C36 N12 Pt1 118.4(5) . . ?
C37 N13 Pt1 112.8(5) . . ?
C41 N13 Pt1 127.0(5) . . ?
C41 N13 C37 120.1(7) . . ?
C54 N14 Pt2 127.8(5) . . ?
C54 N14 C58 118.3(7) . . ?
C58 N14 Pt2 113.9(5) . . ?
C59 N15 Pt2 118.0(5) . . ?
C63 N15 Pt2 118.9(5) . . ?
C63 N15 C59 122.8(6) . . ?
C64 N16 Pt2 113.7(5) . . ?
C68 N16 Pt2 126.9(5) . . ?
C68 N16 C64 118.9(7) . . ?
N1 C1 H1 124.3 . . ?
N1 C1 C2 111.3(9) . . ?
C2 C1 H1 124.3 . . ?
C1 C2 H2 127.1 . . ?
C1 C2 C3 105.8(9) . . ?
C3 C2 H2 127.1 . . ?
N2 C3 C2 106.5(9) . . ?
N2 C3 H3 126.8 . . ?
C2 C3 H3 126.8 . . ?
N3 C4 N2 112.2(7) . . ?
N3 C4 C5 123.7(7) . . ?
C5 C4 N2 124.2(7) . . ?
C4 C5 H5 121.3 . . ?
C4 C5 C6 117.4(7) . . ?
C6 C5 H5 121.3 . . ?
C5 C6 C7 119.8(7) . . ?
C5 C6 C12 120.9(7) . . ?
C7 C6 C12 119.3(7) . . ?
C6 C7 H7 121.4 . . ?
C8 C7 C6 117.1(7) . . ?
C8 C7 H7 121.4 . . ?
N3 C8 N4 113.0(6) . . ?
N3 C8 C7 123.7(7) . . ?
C7 C8 N4 123.3(7) . . ?
N4 C9 H9 126.1 . . ?
N4 C9 C10 107.7(7) . . ?
C10 C9 H9 126.1 . . ?
C9 C10 H10 127.4 . . ?
C9 C10 C11 105.2(8) . . ?
C11 C10 H10 127.4 . . ?
N5 C11 C10 111.5(7) . . ?
N5 C11 H11 124.2 . . ?
C10 C11 H11 124.2 . . ?
C13 C12 C6 172.1(8) . . ?
C12 C13 Pt1 169.3(7) . . ?
N6 C14 H14 124.6 . . ?
N6 C14 C15 110.8(8) . . ?
C15 C14 H14 124.6 . . ?
C14 C15 H15 126.6 . . ?
C16 C15 C14 106.8(8) . . ?
C16 C15 H15 126.6 . . ?
N7 C16 H16 126.6 . . ?
C15 C16 N7 106.8(8) . . ?
C15 C16 H16 126.6 . . ?
N8 C17 N7 111.3(7) . . ?
N8 C17 C18 124.3(8) . . ?
C18 C17 N7 124.3(7) . . ?
C17 C18 H18 121.1 . . ?
C17 C18 C19 117.9(7) . . ?
C19 C18 H18 121.1 . . ?
C18 C19 C20 118.5(7) . . ?
C18 C19 C25 119.8(8) . . ?
C20 C19 C25 121.7(8) . . ?
C19 C20 H20 121.1 . . ?
C21 C20 C19 117.9(8) . . ?
C21 C20 H20 121.1 . . ?
N8 C21 N9 109.8(7) . . ?
C20 C21 N8 125.0(8) . . ?
C20 C21 N9 125.2(8) . . ?
N9 C22 H22 127.2 . . ?
N9 C22 C23 105.5(10) . . ?
C23 C22 H22 127.2 . . ?
C22 C23 H23 127.0 . . ?
C24 C23 C22 106.1(10) . . ?
C24 C23 H23 127.0 . . ?
N10 C24 C23 112.2(9) . . ?
N10 C24 H24 123.9 . . ?
C23 C24 H24 123.9 . . ?
C26 C25 C19 176.0(9) . . ?
C25 C26 Pt2 175.4(7) . . ?
N11 C27 C28 120.4(8) . . ?
C27 C28 H28 119.4 . . ?
C29 C28 C27 121.3(9) . . ?
C29 C28 H28 119.4 . . ?
C28 C29 C30 117.6(8) . . ?
C28 C29 C42 120.6(9) . . ?
C30 C29 C42 121.6(9) . . ?
C29 C30 C31 120.6(9) . . ?
N11 C31 C30 120.3(8) . . ?
N11 C31 C32 115.3(7) . . ?
C30 C31 C32 124.4(8) . . ?
N12 C32 C31 112.7(7) . . ?
N12 C32 C33 119.1(8) . . ?
C33 C32 C31 128.2(7) . . ?
C32 C33 H33 119.9 . . ?
C32 C33 C34 120.2(8) . . ?
C34 C33 H33 119.9 . . ?
C33 C34 C46 119.8(8) . . ?
C35 C34 C33 118.4(7) . . ?
C35 C34 C46 121.7(9) . . ?
C34 C35 H35 120.2 . . ?
C34 C35 C36 119.6(8) . . ?
C36 C35 H35 120.2 . . ?
N12 C36 C35 119.6(7) . . ?
N12 C36 C37 112.7(7) . . ?
C35 C36 C37 127.6(8) . . ?
N13 C37 C36 115.3(7) . . ?
C38 C37 N13 120.1(7) . . ?
C38 C37 C36 124.6(7) . . ?
C37 C38 H38 119.5 . . ?
C37 C38 C39 121.1(8) . . ?
C39 C38 H38 119.5 . . ?
C38 C39 C50 121.3(8) . . ?
C40 C39 C38 116.1(7) . . ?
C40 C39 C50 122.5(7) . . ?
C39 C40 H40 119.3 . . ?
C41 C40 C39 121.3(7) . . ?
C41 C40 H40 119.3 . . ?
N13 C41 C40 121.1(7) . . ?
N13 C41 H41 119.4 . . ?
C40 C41 H41 119.4 . . ?
C29 C42 C44A 110.5(10) . . ?
C29 C42 C45A 112.6(10) . . ?
C29 C42 C43B 105(3) . . ?
C29 C42 C45B 108(2) . . ?
C43A C42 C29 111.8(10) . . ?
C43A C42 C44A 110.0(12) . . ?
C43A C42 C45A 106.2(11) . . ?
C44A C42 C45A 105.6(11) . . ?
C44B C42 C29 108.6(15) . . ?
C44B C42 C43B 94(3) . . ?
C44B C42 C45B 130(2) . . ?
C45B C42 C43B 108.2(17) . . ?
C42 C43A H43A 109.5 . . ?
C42 C43A H43B 109.5 . . ?
C42 C43A H43C 109.5 . . ?
H43A C43A H43B 109.5 . . ?
H43A C43A H43C 109.5 . . ?
H43B C43A H43C 109.5 . . ?
C42 C44A H44A 109.5 . . ?
C42 C44A H44B 109.5 . . ?
C42 C44A H44C 109.5 . . ?
H44A C44A H44B 109.5 . . ?
H44A C44A H44C 109.5 . . ?
H44B C44A H44C 109.5 . . ?
C42 C45A H45A 109.5 . . ?
C42 C45A H45B 109.5 . . ?
C42 C45A H45C 109.5 . . ?
H45A C45A H45B 109.5 . . ?
H45A C45A H45C 109.5 . . ?
H45B C45A H45C 109.5 . . ?
C42 C43B H43D 109.5 . . ?
C42 C43B H43E 109.5 . . ?
C42 C43B H43F 109.5 . . ?
H43D C43B H43E 109.5 . . ?
H43D C43B H43F 109.5 . . ?
H43E C43B H43F 109.5 . . ?
C42 C44B H44D 109.5 . . ?
C42 C44B H44E 109.5 . . ?
C42 C44B H44F 109.5 . . ?
H44D C44B H44E 109.5 . . ?
H44D C44B H44F 109.5 . . ?
H44E C44B H44F 109.5 . . ?
C42 C45B H45D 109.5 . . ?
C42 C45B H45E 109.5 . . ?
C42 C45B H45F 109.5 . . ?
H45D C45B H45E 109.5 . . ?
H45D C45B H45F 109.5 . . ?
H45E C45B H45F 109.5 . . ?
C34 C46 C47A 105.9(10) . . ?
C34 C46 C49A 111.8(12) . . ?
C34 C46 C48B 108.2(13) . . ?
C34 C46 C49B 109.8(14) . . ?
C48A C46 C34 111.3(12) . . ?
C48A C46 C47A 112.7(14) . . ?
C48A C46 C49A 114.8(16) . . ?
C49A C46 C47A 99.4(14) . . ?
C47B C46 C34 111.2(14) . . ?
C47B C46 C48B 114.9(18) . . ?
C47B C46 C49B 112(2) . . ?
C49B C46 C48B 100.0(19) . . ?
C46 C47A H47A 109.5 . . ?
C46 C47A H47B 109.5 . . ?
C46 C47A H47C 109.5 . . ?
H47A C47A H47B 109.5 . . ?
H47A C47A H47C 109.5 . . ?
H47B C47A H47C 109.5 . . ?
C46 C48A H48A 109.5 . . ?
C46 C48A H48B 109.5 . . ?
C46 C48A H48C 109.5 . . ?
H48A C48A H48B 109.5 . . ?
H48A C48A H48C 109.5 . . ?
H48B C48A H48C 109.5 . . ?
C46 C49A H49A 109.5 . . ?
C46 C49A H49B 109.5 . . ?
C46 C49A H49C 109.5 . . ?
H49A C49A H49B 109.5 . . ?
H49A C49A H49C 109.5 . . ?
H49B C49A H49C 109.5 . . ?
C46 C47B H47D 109.5 . . ?
C46 C47B H47E 109.5 . . ?
C46 C47B H47F 109.5 . . ?
H47D C47B H47E 109.5 . . ?
H47D C47B H47F 109.5 . . ?
H47E C47B H47F 109.5 . . ?
C46 C48B H48D 109.5 . . ?
C46 C48B H48E 109.5 . . ?
C46 C48B H48F 109.5 . . ?
H48D C48B H48E 109.5 . . ?
H48D C48B H48F 109.5 . . ?
H48E C48B H48F 109.5 . . ?
C46 C49B H49D 109.5 . . ?
C46 C49B H49E 109.5 . . ?
C46 C49B H49F 109.5 . . ?
H49D C49B H49E 109.5 . . ?
H49D C49B H49F 109.5 . . ?
H49E C49B H49F 109.5 . . ?
C39 C50 C51 105.6(8) . . ?
C52 C50 C39 111.3(8) . . ?
C52 C50 C51 110.7(10) . . ?
C52 C50 C53 109.2(10) . . ?
C53 C50 C39 113.0(8) . . ?
C53 C50 C51 106.9(10) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N14 C54 H54 118.7 . . ?
N14 C54 C55 122.5(7) . . ?
C55 C54 H54 118.7 . . ?
C54 C55 H55 119.6 . . ?
C54 C55 C56 120.8(8) . . ?
C56 C55 H55 119.6 . . ?
C55 C56 C57 116.0(8) . . ?
C55 C56 C69A 116.0(10) . . ?
C55 C56 C69B 123.9(10) . . ?
C57 C56 C69A 126.9(10) . . ?
C57 C56 C69B 119.4(10) . . ?
C56 C57 H57 119.1 . . ?
C58 C57 C56 121.7(8) . . ?
C58 C57 H57 119.1 . . ?
N14 C58 C59 114.4(7) . . ?
C57 C58 N14 120.4(7) . . ?
C57 C58 C59 125.1(8) . . ?
N15 C59 C58 113.0(7) . . ?
N15 C59 C60 119.4(7) . . ?
C60 C59 C58 127.6(7) . . ?
C59 C60 H60 120.1 . . ?
C61 C60 C59 119.9(8) . . ?
C61 C60 H60 120.1 . . ?
C60 C61 C73 119.1(8) . . ?
C62 C61 C60 118.3(7) . . ?
C62 C61 C73 122.5(8) . . ?
C61 C62 H62 120.0 . . ?
C61 C62 C63 120.0(7) . . ?
C63 C62 H62 120.0 . . ?
N15 C63 C62 119.6(7) . . ?
N15 C63 C64 112.2(6) . . ?
C62 C63 C64 128.2(7) . . ?
N16 C64 C63 114.8(7) . . ?
C65 C64 N16 120.6(7) . . ?
C65 C64 C63 124.5(7) . . ?
C64 C65 H65 119.0 . . ?
C64 C65 C66 121.9(7) . . ?
C66 C65 H65 119.0 . . ?
C65 C66 C77 124.3(8) . . ?
C67 C66 C65 114.9(7) . . ?
C67 C66 C77 120.6(8) . . ?
C66 C67 H67 119.1 . . ?
C66 C67 C68 121.7(8) . . ?
C68 C67 H67 119.1 . . ?
N16 C68 C67 121.8(8) . . ?
N16 C68 H68 119.1 . . ?
C67 C68 H68 119.1 . . ?
C56 C69A C70A 107.2(14) . . ?
C56 C69A C72A 100.9(14) . . ?
C70A C69A C72A 105.4(16) . . ?
C71A C69A C56 117.2(17) . . ?
C71A C69A C70A 118.1(18) . . ?
C71A C69A C72A 106.0(16) . . ?
C69A C70A H70A 109.5 . . ?
C69A C70A H70B 109.5 . . ?
C69A C70A H70C 109.5 . . ?
H70A C70A H70B 109.5 . . ?
H70A C70A H70C 109.5 . . ?
H70B C70A H70C 109.5 . . ?
C69A C71A H71A 109.5 . . ?
C69A C71A H71B 109.5 . . ?
C69A C71A H71C 109.5 . . ?
H71A C71A H71B 109.5 . . ?
H71A C71A H71C 109.5 . . ?
H71B C71A H71C 109.5 . . ?
C69A C72A H72A 109.5 . . ?
C69A C72A H72B 109.5 . . ?
C69A C72A H72C 109.5 . . ?
H72A C72A H72B 109.5 . . ?
H72A C72A H72C 109.5 . . ?
H72B C72A H72C 109.5 . . ?
C56 C69B C70B 107.7(18) . . ?
C71B C69B C56 111.4(19) . . ?
C71B C69B C70B 104(2) . . ?
C71B C69B C72B 104(2) . . ?
C72B C69B C56 113.4(19) . . ?
C72B C69B C70B 115(2) . . ?
C69B C70B H70D 109.5 . . ?
C69B C70B H70E 109.5 . . ?
C69B C70B H70F 109.5 . . ?
H70D C70B H70E 109.5 . . ?
H70D C70B H70F 109.5 . . ?
H70E C70B H70F 109.5 . . ?
C69B C71B H71D 109.5 . . ?
C69B C71B H71E 109.5 . . ?
C69B C71B H71F 109.5 . . ?
H71D C71B H71E 109.5 . . ?
H71D C71B H71F 109.5 . . ?
H71E C71B H71F 109.5 . . ?
C69B C72B H72D 109.5 . . ?
C69B C72B H72E 109.5 . . ?
C69B C72B H72F 109.5 . . ?
H72D C72B H72E 109.5 . . ?
H72D C72B H72F 109.5 . . ?
H72E C72B H72F 109.5 . . ?
C61 C73 C74A 108.7(18) . . ?
C61 C73 C75A 109.4(18) . . ?
C61 C73 C76A 112.5(19) . . ?
C61 C73 C74B 112.1(12) . . ?
C75A C73 C74A 129(2) . . ?
C76A C73 C74A 101(2) . . ?
C76A C73 C75A 95(2) . . ?
C75B C73 C61 111.1(12) . . ?
C75B C73 C74B 89.5(14) . . ?
C75B C73 C76B 126.0(16) . . ?
C76B C73 C61 112.1(13) . . ?
C76B C73 C74B 102.6(15) . . ?
C73 C74A H74A 109.5 . . ?
C73 C74A H74B 109.5 . . ?
C73 C74A H74C 109.5 . . ?
H74A C74A H74B 109.5 . . ?
H74A C74A H74C 109.5 . . ?
H74B C74A H74C 109.5 . . ?
C73 C75A H75A 109.5 . . ?
C73 C75A H75B 109.5 . . ?
C73 C75A H75C 109.5 . . ?
H75A C75A H75B 109.5 . . ?
H75A C75A H75C 109.5 . . ?
H75B C75A H75C 109.5 . . ?
C73 C76A H76A 109.5 . . ?
C73 C76A H76B 109.5 . . ?
C73 C76A H76C 109.5 . . ?
H76A C76A H76B 109.5 . . ?
H76A C76A H76C 109.5 . . ?
H76B C76A H76C 109.5 . . ?
C73 C74B H74D 109.5 . . ?
C73 C74B H74E 109.5 . . ?
C73 C74B H74F 109.5 . . ?
H74D C74B H74E 109.5 . . ?
H74D C74B H74F 109.5 . . ?
H74E C74B H74F 109.5 . . ?
C73 C75B H75D 109.5 . . ?
C73 C75B H75E 109.5 . . ?
C73 C75B H75F 109.5 . . ?
H75D C75B H75E 109.5 . . ?
H75D C75B H75F 109.5 . . ?
H75E C75B H75F 109.5 . . ?
C73 C76B H76D 109.5 . . ?
C73 C76B H76E 109.5 . . ?
C73 C76B H76F 109.5 . . ?
H76D C76B H76E 109.5 . . ?
H76D C76B H76F 109.5 . . ?
H76E C76B H76F 109.5 . . ?
C66 C77 C78 106.9(7) . . ?
C66 C77 C80 111.4(8) . . ?
C79 C77 C66 111.5(8) . . ?
C79 C77 C78 110.0(8) . . ?
C79 C77 C80 108.2(8) . . ?
C80 C77 C78 108.8(10) . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C77 C80 H80A 109.5 . . ?
C77 C80 H80B 109.5 . . ?
C77 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
F1 B1 F2 109.9(8) . . ?
F1 B1 F3 113.0(11) . . ?
F1 B1 F4 108.1(11) . . ?
F3 B1 F2 110.6(9) . . ?
F4 B1 F2 106.9(11) . . ?
F4 B1 F3 108.1(10) . . ?
F5 B2 F7 109.8(10) . . ?
F6 B2 F5 106.6(9) . . ?
F6 B2 F7 111.1(9) . . ?
F8 B2 F5 109.1(10) . . ?
F8 B2 F6 110.2(11) . . ?
F8 B2 F7 110.0(9) . . ?
F9A B3 F11A 102.7(12) . . ?
F9A B3 F12A 104.7(12) . . ?
F10A B3 F9A 117.2(13) . . ?
F10A B3 F11A 116.9(12) . . ?
F10A B3 F12A 103.9(11) . . ?
F12A B3 F11A 111.1(12) . . ?
F9B B3 F10B 107.2(14) . . ?
F9B B3 F12B 108.8(14) . . ?
F10B B3 F12B 108.1(14) . . ?
F11B B3 F9B 113.3(14) . . ?
F11B B3 F10B 110.2(14) . . ?
F11B B3 F12B 109.1(14) . . ?
F13A B4A F15A 109(2) . . ?
F13A B4A F16A 108(2) . . ?
F14A B4A F13A 108(2) . . ?
F14A B4A F15A 111(2) . . ?
F14A B4A F16A 114(2) . . ?
F15A B4A F16A 107(2) . . ?
F13B B4B F15B 105.6(15) . . ?
F13B B4B F16B 109.9(16) . . ?
F14B B4B F13B 111.3(15) . . ?
F14B B4B F15B 108.5(14) . . ?
F14B B4B F16B 113.0(16) . . ?
F16B B4B F15B 108.1(15) . . ?
Cl1 C81 Cl2 104.0(13) . . ?
Cl1 C81 H81A 111.0 . . ?
Cl1 C81 H81B 111.0 . . ?
Cl2 C81 H81A 111.0 . . ?
Cl2 C81 H81B 111.0 . . ?
H81A C81 H81B 109.0 . . ?
Cl3 C82 Cl4 113(2) . . ?
Cl3 C82 H82A 108.9 . . ?
Cl3 C82 H82B 108.9 . . ?
Cl4 C82 H82A 108.9 . . ?
Cl4 C82 H82B 108.9 . . ?
H82A C82 H82B 107.7 . . ?
Cl5 C83 H83A 108.8 . . ?
Cl5 C83 H83B 108.8 . . ?
Cl6 C83 Cl5 113.6(16) . . ?
Cl6 C83 H83A 108.8 . . ?
Cl6 C83 H83B 108.8 . . ?
H83A C83 H83B 107.7 . . ?
Cl8B C84B H84A 109.9 . . ?
Cl8B C84B H84B 109.9 . . ?
Cl7B C84B Cl8B 109.1(17) . . ?
Cl7B C84B H84A 109.9 . . ?
Cl7B C84B H84B 109.9 . . ?
H84A C84B H84B 108.3 . . ?
Cl7A C84A H84C 110.6 . . ?
Cl7A C84A H84D 110.6 . . ?
H84C C84A H84D 108.7 . . ?
Cl8A C84A Cl7A 105.8(14) . . ?
Cl8A C84A H84C 110.6 . . ?
Cl8A C84A H84D 110.6 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Fe1 N1 N2 C3 -178.2(6) . . . . ?
Fe1 N1 N2 C4 4.4(9) . . . . ?
Fe1 N1 C1 C2 178.1(8) . . . . ?
Fe1 N3 C4 N2 -6.9(9) . . . . ?
Fe1 N3 C4 C5 173.8(6) . . . . ?
Fe1 N3 C8 N4 7.0(9) . . . . ?
Fe1 N3 C8 C7 -173.2(6) . . . . ?
Fe1 N5 C11 C10 -178.8(7) . . . . ?
Fe1 N6 N7 C16 -175.2(7) . . . . ?
Fe1 N6 N7 C17 -3.6(10) . . . . ?
Fe1 N6 C14 C15 173.7(9) . . . . ?
Fe1 N8 C17 N7 12.2(10) . . . . ?
Fe1 N8 C17 C18 -170.2(7) . . . . ?
Fe1 N8 C21 N9 -12.1(11) . . . . ?
Fe1 N8 C21 C20 170.9(8) . . . . ?
Fe1 N10 C24 C23 -177.5(11) . . . . ?
Pt1 N11 C27 C28 -172.9(6) . . . . ?
Pt1 N11 C31 C30 173.6(6) . . . . ?
Pt1 N11 C31 C32 -4.7(8) . . . . ?
Pt1 N12 C32 C31 -2.2(8) . . . . ?
Pt1 N12 C32 C33 -179.0(6) . . . . ?
Pt1 N12 C36 C35 179.4(6) . . . . ?
Pt1 N12 C36 C37 0.5(8) . . . . ?
Pt1 N13 C37 C36 3.9(8) . . . . ?
Pt1 N13 C37 C38 -173.4(6) . . . . ?
Pt1 N13 C41 C40 171.3(6) . . . . ?
Pt2 N14 C54 C55 -174.6(6) . . . . ?
Pt2 N14 C58 C57 175.4(7) . . . . ?
Pt2 N14 C58 C59 -1.4(8) . . . . ?
Pt2 N15 C59 C58 0.4(9) . . . . ?
Pt2 N15 C59 C60 -178.2(6) . . . . ?
Pt2 N15 C63 C62 178.0(6) . . . . ?
Pt2 N15 C63 C64 1.5(8) . . . . ?
Pt2 N16 C64 C63 3.9(8) . . . . ?
Pt2 N16 C64 C65 -173.0(6) . . . . ?
Pt2 N16 C68 C67 172.1(6) . . . . ?
N1 N2 C3 C2 -0.7(12) . . . . ?
N1 N2 C4 N3 1.3(10) . . . . ?
N1 N2 C4 C5 -179.4(7) . . . . ?
N1 C1 C2 C3 -1.3(14) . . . . ?
N2 N1 C1 C2 0.8(12) . . . . ?
N2 C4 C5 C6 -178.5(7) . . . . ?
N3 C4 C5 C6 0.6(12) . . . . ?
N4 N5 C11 C10 0.2(10) . . . . ?
N4 C9 C10 C11 1.4(10) . . . . ?
N5 N4 C8 N3 -0.4(10) . . . . ?
N5 N4 C8 C7 179.8(7) . . . . ?
N5 N4 C9 C10 -1.4(10) . . . . ?
N6 N7 C16 C15 -0.6(12) . . . . ?
N6 N7 C17 N8 -5.1(11) . . . . ?
N6 N7 C17 C18 177.2(8) . . . . ?
N6 C14 C15 C16 0.5(14) . . . . ?
N7 N6 C14 C15 -0.8(12) . . . . ?
N7 C17 C18 C19 176.0(8) . . . . ?
N8 C17 C18 C19 -1.3(13) . . . . ?
N9 N10 C24 C23 3.7(16) . . . . ?
N9 C22 C23 C24 -1(2) . . . . ?
N10 N9 C21 N8 2.2(13) . . . . ?
N10 N9 C21 C20 179.2(10) . . . . ?
N10 N9 C22 C23 3.7(18) . . . . ?
N11 C27 C28 C29 -0.1(12) . . . . ?
N11 C31 C32 N12 4.6(10) . . . . ?
N11 C31 C32 C33 -179.0(8) . . . . ?
N12 C32 C33 C34 -0.6(12) . . . . ?
N12 C36 C37 N13 -3.0(9) . . . . ?
N12 C36 C37 C38 174.1(7) . . . . ?
N13 C37 C38 C39 1.5(12) . . . . ?
N14 C54 C55 C56 -0.4(13) . . . . ?
N14 C58 C59 N15 0.7(10) . . . . ?
N14 C58 C59 C60 179.1(8) . . . . ?
N15 C59 C60 C61 1.8(13) . . . . ?
N15 C63 C64 N16 -3.5(9) . . . . ?
N15 C63 C64 C65 173.2(7) . . . . ?
N16 C64 C65 C66 1.5(12) . . . . ?
C1 N1 N2 C3 -0.1(10) . . . . ?
C1 N1 N2 C4 -177.5(8) . . . . ?
C1 C2 C3 N2 1.2(13) . . . . ?
C3 N2 C4 N3 -175.6(9) . . . . ?
C3 N2 C4 C5 3.7(14) . . . . ?
C4 N2 C3 C2 176.3(9) . . . . ?
C4 N3 C8 N4 -177.5(7) . . . . ?
C4 N3 C8 C7 2.4(12) . . . . ?
C4 C5 C6 C7 -0.2(11) . . . . ?
C4 C5 C6 C12 176.7(7) . . . . ?
C5 C6 C7 C8 0.7(11) . . . . ?
C6 C7 C8 N3 -1.9(12) . . . . ?
C6 C7 C8 N4 177.9(7) . . . . ?
C8 N3 C4 N2 177.6(7) . . . . ?
C8 N3 C4 C5 -1.7(12) . . . . ?
C8 N4 N5 Fe1 -5.9(9) . . . . ?
C8 N4 N5 C11 174.8(7) . . . . ?
C8 N4 C9 C10 -174.4(8) . . . . ?
C9 N4 N5 Fe1 -179.9(6) . . . . ?
C9 N4 N5 C11 0.7(10) . . . . ?
C9 N4 C8 N3 172.3(8) . . . . ?
C9 N4 C8 C7 -7.6(14) . . . . ?
C9 C10 C11 N5 -1.0(11) . . . . ?
C12 C6 C7 C8 -176.1(7) . . . . ?
C14 N6 N7 C16 0.9(11) . . . . ?
C14 N6 N7 C17 172.5(8) . . . . ?
C14 C15 C16 N7 0.1(13) . . . . ?
C16 N7 C17 N8 164.5(10) . . . . ?
C16 N7 C17 C18 -13.1(15) . . . . ?
C17 N7 C16 C15 -170.8(10) . . . . ?
C17 N8 C21 N9 173.6(8) . . . . ?
C17 N8 C21 C20 -3.4(15) . . . . ?
C17 C18 C19 C20 -2.4(13) . . . . ?
C17 C18 C19 C25 179.6(8) . . . . ?
C18 C19 C20 C21 3.1(14) . . . . ?
C19 C20 C21 N8 -0.1(16) . . . . ?
C19 C20 C21 N9 -176.7(10) . . . . ?
C21 N8 C17 N7 -173.4(8) . . . . ?
C21 N8 C17 C18 4.2(13) . . . . ?
C21 N9 N10 Fe1 7.8(12) . . . . ?
C21 N9 N10 C24 -173.1(10) . . . . ?
C21 N9 C22 C23 170.8(13) . . . . ?
C22 N9 N10 Fe1 176.2(10) . . . . ?
C22 N9 N10 C24 -4.6(14) . . . . ?
C22 N9 C21 N8 -163.8(14) . . . . ?
C22 N9 C21 C20 13(2) . . . . ?
C22 C23 C24 N10 -1(2) . . . . ?
C25 C19 C20 C21 -178.9(9) . . . . ?
C27 N11 C31 C30 -2.5(11) . . . . ?
C27 N11 C31 C32 179.1(7) . . . . ?
C27 C28 C29 C30 -2.4(12) . . . . ?
C27 C28 C29 C42 172.7(8) . . . . ?
C28 C29 C30 C31 2.5(13) . . . . ?
C28 C29 C42 C43A 63.7(13) . . . . ?
C28 C29 C42 C44A -59.1(13) . . . . ?
C28 C29 C42 C45A -176.9(10) . . . . ?
C28 C29 C42 C43B 7(3) . . . . ?
C28 C29 C42 C44B -93.3(19) . . . . ?
C28 C29 C42 C45B 122(2) . . . . ?
C29 C30 C31 N11 -0.1(12) . . . . ?
C29 C30 C31 C32 178.1(8) . . . . ?
C30 C29 C42 C43A -121.3(12) . . . . ?
C30 C29 C42 C44A 115.9(12) . . . . ?
C30 C29 C42 C45A -1.9(13) . . . . ?
C30 C29 C42 C43B -178(2) . . . . ?
C30 C29 C42 C44B 81.6(19) . . . . ?
C30 C29 C42 C45B -63(2) . . . . ?
C30 C31 C32 N12 -173.7(7) . . . . ?
C30 C31 C32 C33 2.8(13) . . . . ?
C31 N11 C27 C28 2.6(11) . . . . ?
C31 C32 C33 C34 -176.9(8) . . . . ?
C32 N12 C36 C35 3.1(11) . . . . ?
C32 N12 C36 C37 -175.8(7) . . . . ?
C32 C33 C34 C35 3.4(13) . . . . ?
C32 C33 C34 C46 179.9(8) . . . . ?
C33 C34 C35 C36 -2.9(13) . . . . ?
C33 C34 C46 C47A -59.3(13) . . . . ?
C33 C34 C46 C48A 63.5(17) . . . . ?
C33 C34 C46 C49A -166.6(13) . . . . ?
C33 C34 C46 C47B -87.2(18) . . . . ?
C33 C34 C46 C48B 40.0(17) . . . . ?
C33 C34 C46 C49B 148.2(16) . . . . ?
C34 C35 C36 N12 -0.2(13) . . . . ?
C34 C35 C36 C37 178.5(8) . . . . ?
C35 C34 C46 C47A 117.2(12) . . . . ?
C35 C34 C46 C48A -120.1(15) . . . . ?
C35 C34 C46 C49A 9.8(17) . . . . ?
C35 C34 C46 C47B 89.3(18) . . . . ?
C35 C34 C46 C48B -143.6(15) . . . . ?
C35 C34 C46 C49B -35.3(18) . . . . ?
C35 C36 C37 N13 178.2(8) . . . . ?
C35 C36 C37 C38 -4.6(13) . . . . ?
C36 N12 C32 C31 174.1(7) . . . . ?
C36 N12 C32 C33 -2.7(11) . . . . ?
C36 C37 C38 C39 -175.5(7) . . . . ?
C37 N13 C41 C40 -4.2(10) . . . . ?
C37 C38 C39 C40 -4.2(12) . . . . ?
C37 C38 C39 C50 172.4(8) . . . . ?
C38 C39 C40 C41 2.8(12) . . . . ?
C38 C39 C50 C51 -66.1(11) . . . . ?
C38 C39 C50 C52 54.1(12) . . . . ?
C38 C39 C50 C53 177.3(9) . . . . ?
C39 C40 C41 N13 1.4(12) . . . . ?
C40 C39 C50 C51 110.2(11) . . . . ?
C40 C39 C50 C52 -129.6(10) . . . . ?
C40 C39 C50 C53 -6.4(13) . . . . ?
C41 N13 C37 C36 -179.9(6) . . . . ?
C41 N13 C37 C38 2.8(11) . . . . ?
C42 C29 C30 C31 -172.6(8) . . . . ?
C46 C34 C35 C36 -179.4(9) . . . . ?
C50 C39 C40 C41 -173.7(8) . . . . ?
C54 N14 C58 C57 -3.2(11) . . . . ?
C54 N14 C58 C59 -180.0(7) . . . . ?
C54 C55 C56 C57 -3.2(13) . . . . ?
C54 C55 C56 C69A 165.5(11) . . . . ?
C54 C55 C56 C69B -173.6(12) . . . . ?
C55 C56 C57 C58 3.7(14) . . . . ?
C55 C56 C69A C70A -177.1(13) . . . . ?
C55 C56 C69A C71A -42(2) . . . . ?
C55 C56 C69A C72A 72.8(15) . . . . ?
C55 C56 C69B C70B -135.7(18) . . . . ?
C55 C56 C69B C71B -22(2) . . . . ?
C55 C56 C69B C72B 95(2) . . . . ?
C56 C57 C58 N14 -0.5(14) . . . . ?
C56 C57 C58 C59 175.9(9) . . . . ?
C57 C56 C69A C70A -10(2) . . . . ?
C57 C56 C69A C71A 125.6(17) . . . . ?
C57 C56 C69A C72A -119.9(14) . . . . ?
C57 C56 C69B C70B 54(2) . . . . ?
C57 C56 C69B C71B 168.1(18) . . . . ?
C57 C56 C69B C72B -75(2) . . . . ?
C57 C58 C59 N15 -175.9(8) . . . . ?
C57 C58 C59 C60 2.5(14) . . . . ?
C58 N14 C54 C55 3.7(11) . . . . ?
C58 C59 C60 C61 -176.6(8) . . . . ?
C59 N15 C63 C62 2.8(11) . . . . ?
C59 N15 C63 C64 -173.6(7) . . . . ?
C59 C60 C61 C62 -0.5(13) . . . . ?
C59 C60 C61 C73 176.4(8) . . . . ?
C60 C61 C62 C63 0.3(13) . . . . ?
C60 C61 C73 C74A 59.3(18) . . . . ?
C60 C61 C73 C75A -86.0(18) . . . . ?
C60 C61 C73 C76A 170.3(18) . . . . ?
C60 C61 C73 C74B 35.5(15) . . . . ?
C60 C61 C73 C75B -62.9(14) . . . . ?
C60 C61 C73 C76B 150.3(12) . . . . ?
C61 C62 C63 N15 -1.4(12) . . . . ?
C61 C62 C63 C64 174.5(8) . . . . ?
C62 C61 C73 C74A -124.0(18) . . . . ?
C62 C61 C73 C75A 90.7(18) . . . . ?
C62 C61 C73 C76A -13(2) . . . . ?
C62 C61 C73 C74B -147.9(12) . . . . ?
C62 C61 C73 C75B 113.8(13) . . . . ?
C62 C61 C73 C76B -33.0(15) . . . . ?
C62 C63 C64 N16 -179.6(7) . . . . ?
C62 C63 C64 C65 -2.9(13) . . . . ?
C63 N15 C59 C58 175.6(7) . . . . ?
C63 N15 C59 C60 -3.0(12) . . . . ?
C63 C64 C65 C66 -175.0(8) . . . . ?
C64 N16 C68 C67 0.2(12) . . . . ?
C64 C65 C66 C67 -3.0(12) . . . . ?
C64 C65 C66 C77 172.5(8) . . . . ?
C65 C66 C67 C68 3.2(12) . . . . ?
C65 C66 C77 C78 -102.9(10) . . . . ?
C65 C66 C77 C79 136.9(9) . . . . ?
C65 C66 C77 C80 15.8(13) . . . . ?
C66 C67 C68 N16 -1.9(13) . . . . ?
C67 C66 C77 C78 72.5(11) . . . . ?
C67 C66 C77 C79 -47.8(11) . . . . ?
C67 C66 C77 C80 -168.8(9) . . . . ?
C68 N16 C64 C63 176.8(7) . . . . ?
C68 N16 C64 C65 0.0(11) . . . . ?
C69A C56 C57 C58 -163.6(12) . . . . ?
C69A C56 C69B C70B -64(3) . . . . ?
C69A C56 C69B C71B 50(3) . . . . ?
C69A C56 C69B C72B 167(4) . . . . ?
C69B C56 C57 C58 174.5(12) . . . . ?
C69B C56 C69A C70A 64(3) . . . . ?
C69B C56 C69A C71A -160(4) . . . . ?
C69B C56 C69A C72A -46(3) . . . . ?
C73 C61 C62 C63 -176.4(8) . . . . ?
C77 C66 C67 C68 -172.6(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT201_bs-67               
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PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......          3 Report
RESPONSE: Disorderd atoms are refined isotropically
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