# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_20srv198
_database_code_depnum_ccdc_archive 'CCDC 2121802'
loop_
_audit_author_name
_audit_author_address
'Dmitry Yufit'
;Durham University
United Kingdom
;
_audit_update_record             
;
2021-11-12 deposited with the CCDC.	2021-12-21 downloaded from the CCDC.
;
_audit_creation_date             2020-09-11
_audit_creation_method           
;
Olex2 1.3-beta
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2017/1
loop_
_audit_author_email
d.s.yufit@durham.ac.uk
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C46 H52 F4 I2 N4 O2 Pt2, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C46.50 H53 Cl F4 I2 N4 O2 Pt2'
_chemical_formula_weight         1455.36
_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'
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   17.3665(10)
_cell_length_b                   17.6434(11)
_cell_length_c                   17.7883(10)
_cell_angle_alpha                79.742(2)
_cell_angle_beta                 81.140(2)
_cell_angle_gamma                81.931(2)
_cell_volume                     5263.4(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9990
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      26.27
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.880
_shelx_estimated_absorpt_T_min   0.141
_exptl_absorpt_coefficient_mu    6.585
_exptl_absorpt_correction_T_max  0.9248
_exptl_absorpt_correction_T_min  0.2111
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1215 before and 0.0745 after correction.
The Ratio of minimum to maximum transmission is 0.2283.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             2764
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0768
_diffrn_reflns_av_unetI/netI     0.0671
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            102341
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.500
_diffrn_reflns_theta_min         2.165
_diffrn_ambient_temperature      120.0
_diffrn_detector                 'Bruker PHOTON III MM CPAD'
_diffrn_detector_area_resol_mean 54.4
_diffrn_detector_type            'CPA sensor'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '3-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω- and φ-scan'
_diffrn_radiation_monochromator  'focusing mirrors'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'Incoatec I\mS 3.0 microsource'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14745
_reflns_number_total             21790
_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_bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         2.187
_refine_diff_density_min         -1.811
_refine_diff_density_rms         0.191
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1099
_refine_ls_number_reflns         21790
_refine_ls_number_restraints     135
_refine_ls_R_factor_all          0.0891
_refine_ls_R_factor_gt           0.0568
_refine_ls_restrained_S_all      1.027
_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)+(0.0700P)²+43.7000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1464
_refine_ls_wR_factor_ref         0.1642
_refine_special_details          SQUEEZE
_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
 C44A-C45A = C45A-C46A = C44A-C43A = C44-C43 = C43A-C42A = C43-C42 = C42-C41 =
 C42A-C41A = C94-C95 = C95-C96 = C45A-C46A = C45A-C46 = C93-C94 = C44-C45 = C45-
 C46
 1.54 with sigma of 0.01
 C94-C93 = C94-C95 = C95-C96 = C93-C92 = C92-C91
 1.54 with sigma of 0.005
 C88-C90 = C44-C46A = C44A-C46 = C94-C96 = C41-C43 = C42-C44 = C43-C45
 2.54 with sigma of 0.005
 C41A-C43A = C42A-C44A = C43A-C45A = C93-C95 = C44-C46 = C44A-C46A
 2.54 with sigma of 0.005
 C96-C94 = C95-C93
 2.54 with sigma of 0.01
 C36A-C35A \\sim C36-C35 \\sim C37A-C36A \\sim C37-C36 \\sim C37-C38 \\sim
C38A-C37A \\sim C39-C38 ~
 C38A-C39A \\sim C40-C39 \\sim C40A-C39A
 with sigma of 0.002
 O2-C41 \\sim O2A-C41A
 with sigma of 0.002
3. Uiso/Uaniso restraints and constraints
C41 \\sim C41A \\sim C42 \\sim C42A \\sim C43 \\sim C43A \\sim C44 \\sim C44A
\\sim C45 \\sim C45A \\sim C46 \\sim C46A: within 1.7A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 1.7A
C38A \\sim C39A: within 1.7A with sigma of 0.02 and sigma for terminal atoms of
0.04 within 1.7A
Uanis(C34) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C92)
\\sim Ueq, Uanis(C91) \\sim Ueq, Uanis(C90) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uiso(C93) = Uiso(C94) = Uiso(C95) = Uiso(C96)
4. Others
 Fixed Sof: O2(0.5) O2A(0.5) C35(0.5) H35A(0.5) H35B(0.5) C35A(0.5) H35C(0.5)
 H35D(0.5) C36(0.5) H36A(0.5) H36B(0.5) C36A(0.5) H36C(0.5) H36D(0.5) C37(0.5)
 H37A(0.5) H37B(0.5) C37A(0.5) H37C(0.5) H37D(0.5) C38(0.5) H38C(0.5) H38D(0.5)
 C38A(0.5) H38A(0.5) H38B(0.5) C39(0.5) H39A(0.5) H39B(0.5) C39A(0.5) H39C(0.5)
 H39D(0.5) C40(0.5) H40D(0.5) H40E(0.5) H40F(0.5) C40A(0.5) H40A(0.5) H40B(0.5)
 H40C(0.5) C41(0.5) H41A(0.5) H41B(0.5) C41A(0.5) H41C(0.5) H41D(0.5) C42(0.5)
 H42A(0.5) H42B(0.5) C42A(0.5) H42C(0.5) H42D(0.5) C43(0.5) H43A(0.5) H43B(0.5)
 C43A(0.5) H43C(0.5) H43D(0.5) C44(0.5) H44A(0.5) H44B(0.5) C44A(0.5) H44C(0.5)
 H44D(0.5) C45(0.5) H45C(0.5) H45D(0.5) C45A(0.5) H45A(0.5) H45B(0.5) C46(0.5)
 H46D(0.5) H46E(0.5) H46F(0.5) C46A(0.5) H46A(0.5) H46B(0.5) H46C(0.5) Cl2(0.5)
 Cl5(0.5) C47(0.5) H47A(0.5) H47B(0.5) Cl3(0.5) Cl4(0.5) C49(0.5) H49A(0.5)
 H49B(0.5)
5.a Riding coordinates:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C40(H40D,H40E,H40F),
 C40A(H40A,H40B,H40C), C46(H46D,H46E,H46F), C46A(H46A,H46B,H46C), C63(H63A,H63B,
 H63C), C64(H64A,H64B,H64C), C65(H65A,H65B,H65C), C82(H82A,H82B,H82C), C83(H83A,
 H83B,H83C), C84(H84A,H84B,H84C), C90(H90A,H90B,H90C), C96(H96A,H96B,H96C)
5.b Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B), C35A(H35C,H35D), C36(H36A,H36B), C36A(H36C,H36D), C37(H37A,
 H37B), C37A(H37C,H37D), C38(H38C,H38D), C38A(H38A,H38B), C39(H39A,H39B),
 C39A(H39C,H39D), C41(H41A,H41B), C41A(H41C,H41D), C42(H42A,H42B), C42A(H42C,
 H42D), C43(H43A,H43B), C43A(H43C,H43D), C44(H44A,H44B), C44A(H44C,H44D),
 C45(H45C,H45D), C45A(H45A,H45B), C85(H85A,H85B), C86(H86A,H86B), C87(H87A,
 H87B), C88(H88A,H88B), C89(H89A,H89B), C91(H91A,H91B), C92(H92A,H92B),
 C93(H93A,H93B), C94(H94A,H94B), C95(H95A,H95B), C47(H47A,H47B), C49(H49A,H49B)
5.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C17(H17), C19(H19), C27(H27), C29(H29), C30(H30),
 C51(H51), C52(H52), C54(H54), C67(H67), C69(H69), C77(H77), C79(H79), C80(H80)
;
_atom_sites_solution_hydrogens   mixed
_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 0.39669(2) 0.57413(3) 0.43051(2) 0.04196(11) Uani 1 1 d . . . . .
Pt2 Pt 0.39645(3) 0.24998(3) 0.61380(3) 0.04691(12) Uani 1 1 d . . . . .
I1 I 0.27726(4) 0.58123(5) 0.54505(4) 0.0557(2) Uani 1 1 d . . . . .
I2 I 0.26847(5) 0.32941(5) 0.67688(6) 0.0676(2) Uani 1 1 d . . . . .
F1 F 0.5755(3) 0.6876(4) 0.1837(3) 0.0566(17) Uani 1 1 d . . . . .
F2 F 0.6289(4) 0.4231(4) 0.2727(4) 0.0571(17) Uani 1 1 d . . . . .
F3 F 0.6234(5) 0.2074(5) 0.3912(5) 0.088(3) Uani 1 1 d . . . . .
F4 F 0.5552(5) -0.0134(4) 0.5632(5) 0.089(3) Uani 1 1 d . . . . .
O1 O 0.6585(4) 0.5515(5) 0.1649(4) 0.0507(19) Uani 1 1 d . . . . .
O2 O 0.6238(11) 0.0504(11) 0.4243(11) 0.057(5) Uiso 0.5 1 d D . P A 3
O2A O 0.6538(15) 0.0517(14) 0.4385(14) 0.081(7) Uiso 0.5 1 d D . P A 2
N1 N 0.3855(5) 0.6852(5) 0.3755(5) 0.046(2) Uani 1 1 d . . . . .
N2 N 0.4364(5) 0.4582(5) 0.4565(5) 0.045(2) Uani 1 1 d . . . . .
N3 N 0.4348(5) 0.3314(5) 0.5275(5) 0.0403(19) Uani 1 1 d . . . . .
N4 N 0.3887(5) 0.1472(6) 0.6832(6) 0.054(2) Uani 1 1 d . . . . .
C1 C 0.3302(7) 0.7430(8) 0.3939(7) 0.060(3) Uani 1 1 d . . . . .
H1 H 0.294372 0.733959 0.439701 0.072 Uiso 1 1 calc R U . . .
C2 C 0.3242(8) 0.8152(9) 0.3479(8) 0.071(4) Uani 1 1 d . . . . .
H2 H 0.283146 0.853650 0.362177 0.086 Uiso 1 1 calc R U . . .
C3 C 0.3755(7) 0.8327(7) 0.2825(7) 0.057(3) Uani 1 1 d . . . . .
C4 C 0.4330(6) 0.7745(7) 0.2645(7) 0.057(3) Uani 1 1 d . . . . .
H4 H 0.469721 0.784608 0.219525 0.068 Uiso 1 1 calc R U . . .
C5 C 0.4397(6) 0.7012(7) 0.3093(6) 0.047(3) Uani 1 1 d . . . . .
C6 C 0.4953(6) 0.6328(6) 0.2960(6) 0.044(3) Uani 1 1 d . . . . .
C7 C 0.4816(6) 0.5676(6) 0.3501(5) 0.039(2) Uani 1 1 d . . . . .
C8 C 0.5269(6) 0.4947(6) 0.3461(6) 0.041(2) Uani 1 1 d . . . . .
C9 C 0.5874(6) 0.4917(7) 0.2841(6) 0.042(2) Uani 1 1 d . . . . .
C10 C 0.6030(6) 0.5555(7) 0.2303(6) 0.046(3) Uani 1 1 d . . . . .
C11 C 0.5578(7) 0.6262(7) 0.2368(6) 0.050(3) Uani 1 1 d . . . . .
C12 C 0.3642(8) 0.9122(8) 0.2312(8) 0.067(4) Uani 1 1 d . . . . .
C13 C 0.2901(9) 0.9118(10) 0.1888(10) 0.099(6) Uani 1 1 d . . . . .
H13A H 0.283488 0.958466 0.152206 0.149 Uiso 1 1 d R U . . .
H13B H 0.299088 0.867766 0.162426 0.149 Uiso 1 1 d R U . . .
H13C H 0.243748 0.908046 0.225726 0.149 Uiso 1 1 d R U . . .
C14 C 0.4378(8) 0.9211(8) 0.1651(8) 0.073(4) Uani 1 1 d . . . . .
H14A H 0.430715 0.969561 0.131087 0.110 Uiso 1 1 d R U . . .
H14B H 0.484825 0.918230 0.188037 0.110 Uiso 1 1 d R U . . .
H14C H 0.441935 0.879130 0.136357 0.110 Uiso 1 1 d R U . . .
C15 C 0.3546(9) 0.9762(8) 0.2770(10) 0.090(5) Uani 1 1 d . . . . .
H15A H 0.401158 0.973783 0.300795 0.135 Uiso 1 1 d R U . . .
H15B H 0.347018 1.025123 0.243845 0.135 Uiso 1 1 d R U . . .
H15C H 0.310158 0.971053 0.316225 0.135 Uiso 1 1 d R U . . .
C16 C 0.5011(6) 0.4339(6) 0.4066(6) 0.041(2) Uani 1 1 d . . . . .
C17 C 0.5325(7) 0.3576(7) 0.4180(6) 0.049(3) Uani 1 1 d . . . . .
H17 H 0.577457 0.340431 0.385012 0.059 Uiso 1 1 calc R U . . .
C18 C 0.4998(7) 0.3067(7) 0.4760(6) 0.048(3) Uani 1 1 d . . . . .
C19 C 0.4088(6) 0.4052(7) 0.5141(6) 0.046(3) Uani 1 1 d . . . . .
H19 H 0.365743 0.422945 0.548938 0.055 Uiso 1 1 calc R U . . .
C20 C 0.5241(8) 0.2262(7) 0.4944(7) 0.057(3) Uani 1 1 d . . . . .
C21 C 0.5779(9) 0.1750(8) 0.4570(9) 0.077(4) Uani 1 1 d . . . . .
C22 C 0.5913(9) 0.0962(8) 0.4777(9) 0.081(5) Uani 1 1 d . . . . .
C23 C 0.5445(10) 0.0637(7) 0.5452(9) 0.076(4) Uani 1 1 d . . . . .
C24 C 0.4901(8) 0.1081(7) 0.5881(7) 0.057(3) Uani 1 1 d . . . . .
C25 C 0.4802(7) 0.1885(7) 0.5615(7) 0.051(3) Uani 1 1 d . . . . .
C26 C 0.4381(8) 0.0852(8) 0.6592(8) 0.065(3) Uani 1 1 d . . . . .
C27 C 0.4375(8) 0.0103(7) 0.7008(7) 0.064(3) Uani 1 1 d . . . . .
H27 H 0.470062 -0.032011 0.681832 0.076 Uiso 1 1 calc R U . . .
C28 C 0.3873(9) -0.0018(8) 0.7718(9) 0.069(4) Uani 1 1 d . . . . .
C29 C 0.3399(7) 0.0606(7) 0.7937(7) 0.060(3) Uani 1 1 d . . . . .
H29 H 0.305592 0.053587 0.840840 0.072 Uiso 1 1 calc R U . . .
C30 C 0.3393(8) 0.1331(7) 0.7507(7) 0.058(3) Uani 1 1 d . . . . .
H30 H 0.303955 0.174517 0.768025 0.070 Uiso 1 1 calc R U . . .
C31 C 0.3907(10) -0.0836(8) 0.8199(9) 0.083(5) Uani 1 1 d . . . . .
C32 C 0.3719(15) -0.1389(11) 0.7630(14) 0.139(8) Uani 1 1 d . U . . .
H32A H 0.320562 -0.122391 0.747978 0.208 Uiso 1 1 d R U . . .
H32B H 0.410372 -0.135881 0.717988 0.208 Uiso 1 1 d R U . . .
H32C H 0.373852 -0.191501 0.789298 0.208 Uiso 1 1 d R U . . .
C33 C 0.4702(11) -0.1165(11) 0.8356(13) 0.117(7) Uani 1 1 d . U . . .
H33A H 0.503417 -0.119984 0.787657 0.175 Uiso 1 1 d R U . . .
H33B H 0.490437 -0.083394 0.863377 0.175 Uiso 1 1 d R U . . .
H33C H 0.469067 -0.167314 0.865827 0.175 Uiso 1 1 d R U . . .
C34 C 0.3274(12) -0.0880(12) 0.8841(14) 0.137(8) Uani 1 1 d . U . . .
H34A H 0.331657 -0.050547 0.915931 0.206 Uiso 1 1 d R U . . .
H34B H 0.278127 -0.076387 0.864021 0.206 Uiso 1 1 d R U . . .
H34C H 0.330307 -0.138907 0.914371 0.206 Uiso 1 1 d R U . . .
C35 C 0.7373(10) 0.5143(12) 0.1797(9) 0.031(4) Uiso 0.5 1 d D . P B 1
H35A H 0.737053 0.457337 0.190194 0.037 Uiso 0.5 1 calc R U P B 1
H35B H 0.750721 0.530675 0.226042 0.037 Uiso 0.5 1 calc R U P B 1
C35A C 0.7368(19) 0.557(2) 0.1740(14) 0.095(11) Uiso 0.5 1 d D . P B 2
H35C H 0.760513 0.507225 0.200608 0.114 Uiso 0.5 1 calc R U P B 2
H35D H 0.738144 0.597845 0.205413 0.114 Uiso 0.5 1 calc R U P B 2
C36 C 0.7993(14) 0.5355(12) 0.1116(12) 0.060(6) Uiso 0.5 1 d D . P B 1
H36A H 0.787706 0.515089 0.066735 0.072 Uiso 0.5 1 calc R U P B 1
H36B H 0.850976 0.509332 0.124459 0.072 Uiso 0.5 1 calc R U P B 1
C36A C 0.7825(11) 0.5775(18) 0.0944(12) 0.056(6) Uiso 0.5 1 d D . P B 2
H36C H 0.758689 0.628567 0.070233 0.068 Uiso 0.5 1 calc R U P B 2
H36D H 0.775289 0.538863 0.062719 0.068 Uiso 0.5 1 calc R U P B 2
C37 C 0.8052(17) 0.6220(12) 0.0884(14) 0.075(8) Uiso 0.5 1 d D . P B 1
H37A H 0.751534 0.648835 0.084752 0.090 Uiso 0.5 1 calc R U P B 1
H37B H 0.825215 0.640271 0.130405 0.090 Uiso 0.5 1 calc R U P B 1
C37A C 0.8702(13) 0.581(3) 0.0902(16) 0.149(18) Uiso 0.5 1 d D . P B 2
H37C H 0.879391 0.620452 0.119978 0.179 Uiso 0.5 1 calc R U P B 2
H37D H 0.896118 0.530108 0.112332 0.179 Uiso 0.5 1 calc R U P B 2
C38 C 0.8566(13) 0.648(2) 0.0133(17) 0.117(13) Uiso 0.5 1 d D . P B 1
H38C H 0.840882 0.627268 -0.029809 0.141 Uiso 0.5 1 calc R U P B 1
H38D H 0.852261 0.704901 0.000950 0.141 Uiso 0.5 1 calc R U P B 1
C38A C 0.9037(14) 0.602(2) 0.0059(15) 0.087(9) Uiso 0.5 1 d D U P B 2
H38A H 0.887098 0.657290 -0.013428 0.105 Uiso 0.5 1 calc R U P B 2
H38B H 0.885471 0.569509 -0.026103 0.105 Uiso 0.5 1 calc R U P B 2
C39 C 0.9399(14) 0.614(2) 0.0267(17) 0.096(11) Uiso 0.5 1 d D . P B 1
H39A H 0.943411 0.556906 0.038758 0.115 Uiso 0.5 1 calc R U P B 1
H39B H 0.954161 0.633569 0.071001 0.115 Uiso 0.5 1 calc R U P B 1
C39A C 0.9924(14) 0.588(3) 0.0034(18) 0.145(14) Uiso 0.5 1 d D U P B 2
H39C H 1.008798 0.613071 0.042666 0.174 Uiso 0.5 1 calc R U P B 2
H39D H 1.008823 0.531212 0.015400 0.174 Uiso 0.5 1 calc R U P B 2
C40 C 0.996(2) 0.638(3) -0.0453(19) 0.125(15) Uiso 0.5 1 d D . P B 1
H40D H 0.992486 0.694740 -0.057638 0.187 Uiso 0.5 1 d R U P B 1
H40E H 0.982746 0.617160 -0.088418 0.187 Uiso 0.5 1 d R U P B 1
H40F H 1.050215 0.617330 -0.036498 0.187 Uiso 0.5 1 d R U P B 1
C40A C 1.032(2) 0.6194(19) -0.0761(16) 0.085(9) Uiso 0.5 1 d D . P B 2
H40A H 1.018749 0.675521 -0.078468 0.127 Uiso 0.5 1 d R U P B 2
H40B H 1.011739 0.602581 -0.118068 0.127 Uiso 0.5 1 d R U P B 2
H40C H 1.089349 0.606821 -0.081468 0.127 Uiso 0.5 1 d R U P B 2
C41 C 0.7013(18) 0.032(4) 0.443(3) 0.160(10) Uiso 0.5 1 d D U P A 3
H41A H 0.701611 -0.004802 0.492621 0.192 Uiso 0.5 1 calc R U P A 3
H41B H 0.722719 0.079216 0.449322 0.192 Uiso 0.5 1 calc R U P A 3
C41A C 0.722(2) 0.005(3) 0.461(2) 0.165(10) Uiso 0.5 1 d D U P A 2
H41C H 0.705180 -0.044682 0.488245 0.198 Uiso 0.5 1 calc R U P A 2
H41D H 0.738371 0.030334 0.501410 0.198 Uiso 0.5 1 calc R U P A 2
C42 C 0.751(2) -0.006(3) 0.377(2) 0.173(9) Uiso 0.5 1 d D U P A 3
H42A H 0.723506 -0.046808 0.365362 0.207 Uiso 0.5 1 calc R U P A 3
H42B H 0.757273 0.033939 0.330407 0.207 Uiso 0.5 1 calc R U P A 3
C42A C 0.799(2) -0.015(4) 0.408(3) 0.180(9) Uiso 0.5 1 d D U P A 2
H42C H 0.823420 0.032367 0.386059 0.216 Uiso 0.5 1 calc R U P A 2
H42D H 0.836158 -0.050520 0.439319 0.216 Uiso 0.5 1 calc R U P A 2
C43 C 0.832(2) -0.041(3) 0.399(2) 0.185(9) Uiso 0.5 1 d D U P A 3
H43A H 0.826621 -0.085842 0.440683 0.222 Uiso 0.5 1 calc R U P A 3
H43B H 0.856780 -0.001958 0.417927 0.222 Uiso 0.5 1 calc R U P A 3
C43A C 0.783(2) -0.055(3) 0.343(2) 0.188(9) Uiso 0.5 1 d D U P A 2
H43C H 0.753014 -0.016913 0.307376 0.225 Uiso 0.5 1 calc R U P A 2
H43D H 0.750490 -0.097497 0.365228 0.225 Uiso 0.5 1 calc R U P A 2
C44 C 0.886(2) -0.068(2) 0.328(3) 0.202(10) Uiso 0.5 1 d D U P A 3
H44A H 0.874163 -0.032273 0.280955 0.242 Uiso 0.5 1 calc R U P A 3
H44B H 0.941695 -0.065904 0.334118 0.242 Uiso 0.5 1 calc R U P A 3
C44A C 0.860(3) -0.088(3) 0.298(2) 0.203(10) Uiso 0.5 1 d D U P A 2
H44C H 0.904127 -0.063308 0.308818 0.244 Uiso 0.5 1 calc R U P A 2
H44D H 0.869871 -0.144463 0.316659 0.244 Uiso 0.5 1 calc R U P A 2
C45 C 0.874(4) -0.151(2) 0.321(2) 0.212(11) Uiso 0.5 1 d D U P A 3
H45C H 0.828495 -0.167325 0.357877 0.255 Uiso 0.5 1 calc R U P A 3
H45D H 0.921180 -0.186818 0.335132 0.255 Uiso 0.5 1 calc R U P A 3
C45A C 0.856(3) -0.074(3) 0.2114(19) 0.214(12) Uiso 0.5 1 d D U P A 2
H45A H 0.870655 -0.021463 0.188979 0.257 Uiso 0.5 1 calc R U P A 2
H45B H 0.801158 -0.075217 0.202470 0.257 Uiso 0.5 1 calc R U P A 2
C46 C 0.861(5) -0.156(3) 0.239(3) 0.236(15) Uiso 0.5 1 d D U P A 3
H46D H 0.812750 -0.122930 0.229297 0.355 Uiso 0.5 1 d R U P A 3
H46E H 0.904400 -0.139250 0.199647 0.355 Uiso 0.5 1 d R U P A 3
H46F H 0.854950 -0.210090 0.236117 0.355 Uiso 0.5 1 d R U P A 3
C46A C 0.911(4) -0.135(4) 0.171(2) 0.235(17) Uiso 0.5 1 d D U P A 2
H46A H 0.869188 -0.148358 0.145635 0.352 Uiso 0.5 1 d R U P A 2
H46B H 0.934878 -0.181738 0.200795 0.352 Uiso 0.5 1 d R U P A 2
H46C H 0.950598 -0.111978 0.131455 0.352 Uiso 0.5 1 d R U P A 2
Pt3 Pt 0.41782(2) 0.59931(3) 0.13033(2) 0.04715(13) Uani 1 1 d . . . . .
Pt4 Pt 0.71549(2) 0.56343(3) -0.09041(2) 0.04925(13) Uani 1 1 d . . . . .
I3 I 0.42838(5) 0.73799(6) 0.04193(5) 0.0643(2) Uani 1 1 d . . . . .
I4 I 0.65700(5) 0.71282(6) -0.11711(5) 0.0668(2) Uani 1 1 d . . . . .
F51 F 0.2910(3) 0.4116(4) 0.3618(4) 0.0553(17) Uani 1 1 d . . . . .
F52 F 0.5225(3) 0.3101(4) 0.2236(4) 0.0565(17) Uani 1 1 d . . . . .
F53 F 0.7223(4) 0.2838(5) 0.0698(4) 0.070(2) Uani 1 1 d . . . . .
F54 F 0.9324(4) 0.3295(5) -0.1251(4) 0.071(2) Uani 1 1 d . . . . .
O3 O 0.4057(4) 0.2937(5) 0.3464(5) 0.053(2) Uani 1 1 d . . . . .
O4 O 0.8613(5) 0.2333(6) -0.0062(5) 0.076(3) Uani 1 1 d . . . . .
N51 N 0.3190(5) 0.6262(6) 0.2004(5) 0.053(3) Uani 1 1 d . . . . .
N52 N 0.5165(5) 0.5368(6) 0.0833(5) 0.052(2) Uani 1 1 d . . . . .
N53 N 0.6332(5) 0.5245(7) -0.0029(5) 0.052(2) Uani 1 1 d . . . . .
N54 N 0.8161(5) 0.5649(6) -0.1666(5) 0.052(2) Uani 1 1 d . . . . .
C51 C 0.2735(7) 0.6936(7) 0.2002(7) 0.053(3) Uani 1 1 d . . . . .
H51 H 0.288873 0.735932 0.162379 0.063 Uiso 1 1 calc R U . . .
C52 C 0.2074(7) 0.7068(9) 0.2490(7) 0.063(3) Uani 1 1 d . . . . .
H52 H 0.179268 0.757254 0.245516 0.076 Uiso 1 1 calc R U . . .
C53 C 0.1804(6) 0.6474(8) 0.3040(6) 0.053(3) Uani 1 1 d . . . . .
C54 C 0.2267(6) 0.5745(8) 0.3081(7) 0.055(3) Uani 1 1 d . . . . .
H54 H 0.211573 0.531770 0.345512 0.066 Uiso 1 1 calc R U . . .
C55 C 0.2951(6) 0.5665(7) 0.2562(6) 0.047(3) Uani 1 1 d . . . . .
C56 C 0.3487(6) 0.4943(7) 0.2539(6) 0.043(3) Uani 1 1 d . . . . .
C57 C 0.4111(6) 0.4992(7) 0.1948(6) 0.044(3) Uani 1 1 d . . . . .
C58 C 0.4716(6) 0.4403(7) 0.1802(6) 0.049(3) Uani 1 1 d . . . . .
C59 C 0.4663(6) 0.3693(7) 0.2324(6) 0.047(3) Uani 1 1 d . . . . .
C60 C 0.4057(6) 0.3604(7) 0.2936(6) 0.045(3) Uani 1 1 d . . . . .
C61 C 0.3487(6) 0.4234(8) 0.3006(6) 0.049(3) Uani 1 1 d . . . . .
C62 C 0.1026(6) 0.6595(8) 0.3597(6) 0.056(3) Uani 1 1 d . . . . .
C63 C 0.0821(7) 0.5849(8) 0.4083(8) 0.064(3) Uani 1 1 d . . . . .
H63A H 0.075976 0.549123 0.375357 0.096 Uiso 1 1 d R U . . .
H63B H 0.123656 0.563493 0.438487 0.096 Uiso 1 1 d R U . . .
H63C H 0.034086 0.593793 0.441917 0.096 Uiso 1 1 d R U . . .
C64 C 0.0363(7) 0.6940(10) 0.3107(7) 0.077(5) Uani 1 1 d . . . . .
H64A H 0.048981 0.742723 0.281070 0.116 Uiso 1 1 d R U . . .
H64B H 0.030931 0.659123 0.276570 0.116 Uiso 1 1 d R U . . .
H64C H -0.012099 0.701933 0.344020 0.116 Uiso 1 1 d R U . . .
C65 C 0.1160(7) 0.7180(9) 0.4109(8) 0.071(4) Uani 1 1 d . . . . .
H65A H 0.158951 0.696697 0.439073 0.106 Uiso 1 1 d R U . . .
H65B H 0.128001 0.765787 0.378683 0.106 Uiso 1 1 d R U . . .
H65C H 0.069441 0.727777 0.446283 0.106 Uiso 1 1 d R U . . .
C66 C 0.5290(6) 0.4614(7) 0.1183(6) 0.044(3) Uani 1 1 d . . . . .
C67 C 0.5972(6) 0.4170(8) 0.0869(6) 0.049(3) Uani 1 1 d . . . . .
H67 H 0.607013 0.363696 0.107875 0.058 Uiso 1 1 calc R U . . .
C68 C 0.6474(6) 0.4470(8) 0.0296(6) 0.047(3) Uani 1 1 d . . . . .
C69 C 0.5688(6) 0.5668(7) 0.0237(5) 0.047(3) Uani 1 1 d . . . . .
H69 H 0.558794 0.619400 0.000581 0.057 Uiso 1 1 calc R U . . .
C70 C 0.7200(6) 0.4081(8) -0.0077(6) 0.051(3) Uani 1 1 d . . . . .
C71 C 0.7533(7) 0.3354(8) 0.0119(6) 0.055(3) Uani 1 1 d . . . . .
C72 C 0.8261(7) 0.3060(8) -0.0285(7) 0.058(3) Uani 1 1 d . . . . .
C73 C 0.8630(6) 0.3572(8) -0.0873(7) 0.054(3) Uani 1 1 d . . . . .
C74 C 0.8333(6) 0.4341(8) -0.1074(6) 0.051(3) Uani 1 1 d . . . . .
C75 C 0.7607(6) 0.4557(7) -0.0665(7) 0.052(3) Uani 1 1 d . . . . .
C76 C 0.8642(6) 0.4947(8) -0.1627(6) 0.055(3) Uani 1 1 d . . . . .
C77 C 0.9361(6) 0.4933(8) -0.2082(6) 0.050(3) Uani 1 1 d . . . . .
H77 H 0.969767 0.445858 -0.206301 0.060 Uiso 1 1 calc R U . . .
C78 C 0.9611(6) 0.5584(9) -0.2565(6) 0.057(3) Uani 1 1 d . . . . .
C79 C 0.9097(7) 0.6262(9) -0.2612(7) 0.063(3) Uani 1 1 d . . . . .
H79 H 0.923262 0.671731 -0.295245 0.076 Uiso 1 1 calc R U . . .
C80 C 0.8392(7) 0.6256(8) -0.2153(6) 0.058(3) Uani 1 1 d . . . . .
H80 H 0.804140 0.672226 -0.218608 0.070 Uiso 1 1 calc R U . . .
C81 C 1.0431(7) 0.5609(9) -0.3058(6) 0.065(4) Uani 1 1 d . . . . .
C82 C 1.0903(7) 0.4768(10) -0.3024(8) 0.076(4) Uani 1 1 d . . . . .
H82A H 1.098615 0.456613 -0.250036 0.115 Uiso 1 1 d R U . . .
H82B H 1.062114 0.442483 -0.320986 0.115 Uiso 1 1 d R U . . .
H82C H 1.140175 0.480983 -0.333906 0.115 Uiso 1 1 d R U . . .
C83 C 1.0336(8) 0.5900(11) -0.3924(7) 0.086(5) Uani 1 1 d . . . . .
H83A H 1.004343 0.556214 -0.410583 0.128 Uiso 1 1 d R U . . .
H83B H 1.006413 0.641474 -0.397743 0.128 Uiso 1 1 d R U . . .
H83C H 1.084643 0.590514 -0.422173 0.128 Uiso 1 1 d R U . . .
C84 C 1.0889(8) 0.6119(10) -0.2738(8) 0.077(4) Uani 1 1 d . . . . .
H84A H 1.061666 0.663337 -0.276486 0.116 Uiso 1 1 d R U . . .
H84B H 1.094766 0.590787 -0.221116 0.116 Uiso 1 1 d R U . . .
H84C H 1.139746 0.613647 -0.303736 0.116 Uiso 1 1 d R U . . .
C85 C 0.3614(8) 0.2378(8) 0.3325(8) 0.067(4) Uani 1 1 d . . . . .
H85A H 0.392518 0.206886 0.294578 0.081 Uiso 1 1 calc R U . . .
H85B H 0.313308 0.263711 0.311092 0.081 Uiso 1 1 calc R U . . .
C86 C 0.3400(8) 0.1861(8) 0.4068(8) 0.070(4) Uani 1 1 d . . . . .
H86A H 0.388247 0.165022 0.430293 0.084 Uiso 1 1 calc R U . . .
H86B H 0.316313 0.141853 0.396200 0.084 Uiso 1 1 calc R U . . .
C87 C 0.2817(8) 0.2287(9) 0.4647(8) 0.071(4) Uani 1 1 d . . . . .
H87A H 0.299584 0.279362 0.465535 0.085 Uiso 1 1 calc R U . . .
H87B H 0.282713 0.197908 0.516878 0.085 Uiso 1 1 calc R U . . .
C88 C 0.1951(8) 0.2429(8) 0.4462(9) 0.082(5) Uani 1 1 d D . . . .
H88A H 0.194521 0.272254 0.393314 0.098 Uiso 1 1 calc R U . . .
H88B H 0.176901 0.192105 0.446761 0.098 Uiso 1 1 calc R U . . .
C89 C 0.1361(8) 0.2877(11) 0.5022(9) 0.091(5) Uani 1 1 d . . . . .
H89A H 0.081984 0.284354 0.493078 0.109 Uiso 1 1 calc R U . . .
H89B H 0.141620 0.263078 0.555975 0.109 Uiso 1 1 calc R U . . .
C90 C 0.1494(7) 0.3722(8) 0.4920(9) 0.084(5) Uani 1 1 d D U . . .
H90A H 0.113341 0.398814 0.527923 0.126 Uiso 1 1 d R U . . .
H90B H 0.202181 0.375094 0.500213 0.126 Uiso 1 1 d R U . . .
H90C H 0.142011 0.396114 0.440343 0.126 Uiso 1 1 d R U . . .
C91 C 0.8378(8) 0.1769(8) -0.0422(9) 0.078(4) Uani 1 1 d D U . . .
H91A H 0.854573 0.187041 -0.098482 0.094 Uiso 1 1 calc R U . . .
H91B H 0.779925 0.178129 -0.033202 0.094 Uiso 1 1 calc R U . . .
C92 C 0.8766(11) 0.0973(8) -0.0071(11) 0.108(6) Uani 1 1 d D U . . .
H92A H 0.858272 0.086228 0.048811 0.130 Uiso 1 1 calc R U . . .
H92B H 0.934345 0.096598 -0.014519 0.130 Uiso 1 1 calc R U . . .
C93 C 0.853(3) 0.0365(16) -0.049(2) 0.310(13) Uiso 1 1 d D . . . .
H93A H 0.866497 0.052942 -0.104964 0.372 Uiso 1 1 calc R U . C 2
H93B H 0.795252 0.037357 -0.038268 0.372 Uiso 1 1 calc R U . C 2
C94 C 0.890(3) -0.0480(18) -0.0283(19) 0.310(13) Uiso 1 1 d D . . D 2
H94A H 0.865464 -0.070554 0.023385 0.372 Uiso 1 1 calc R U . D 2
H94B H 0.946680 -0.048865 -0.026476 0.372 Uiso 1 1 calc R U . D 2
C95 C 0.878(3) -0.0971(15) -0.0882(19) 0.310(13) Uiso 1 1 d D . . D 2
H95A H 0.821456 -0.092498 -0.093376 0.372 Uiso 1 1 calc R U . D 2
H95B H 0.906326 -0.077339 -0.139022 0.372 Uiso 1 1 calc R U . D 2
C96 C 0.908(3) -0.1831(15) -0.064(2) 0.310(13) Uiso 1 1 d D . . D 2
H96A H 0.951181 -0.199396 -0.102513 0.465 Uiso 1 1 d R U . D 2
H96B H 0.865481 -0.214916 -0.059683 0.465 Uiso 1 1 d R U . D 2
H96C H 0.927591 -0.189576 -0.013903 0.465 Uiso 1 1 d R U . D 2
Cl2 Cl 0.7767(6) 0.2785(5) 0.2306(6) 0.099(3) Uani 0.5 1 d . . P . .
Cl5 Cl 0.8699(8) 0.1287(7) 0.2246(6) 0.135(4) Uani 0.5 1 d . . P . .
C47 C 0.8557(19) 0.2168(16) 0.1895(16) 0.074(8) Uani 0.5 1 d . . P . .
H47A H 0.849174 0.219581 0.134692 0.089 Uiso 0.5 1 calc R U P . .
H47B H 0.904566 0.239626 0.189957 0.089 Uiso 0.5 1 calc R U P . .
Cl3 Cl 0.7268(5) 0.8076(6) 0.0662(5) 0.092(2) Uani 0.5 1 d . . P . .
Cl4 Cl 0.6118(7) 0.9224(5) 0.0012(5) 0.113(3) Uani 0.5 1 d . . P . .
C49 C 0.6285(11) 0.8240(12) 0.0532(11) 0.038(5) Uani 0.5 1 d . . P . .
H49A H 0.594806 0.818587 0.103662 0.046 Uiso 0.5 1 calc R U P . .
H49B H 0.616097 0.786155 0.023146 0.046 Uiso 0.5 1 calc R U P . .


_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 I1 2.6805(8) . ?
Pt1 N1 2.026(9) . ?
Pt1 N2 2.059(9) . ?
Pt1 C7 1.895(10) . ?
Pt2 I2 2.6609(10) . ?
Pt2 N3 2.008(8) . ?
Pt2 N4 2.013(10) . ?
Pt2 C25 1.912(11) . ?
F1 C11 1.341(12) . ?
F2 C9 1.349(12) . ?
F3 C21 1.387(15) . ?
F4 C23 1.333(14) . ?
O1 C10 1.397(12) . ?
O1 C35 1.473(19) . ?
O1 C35A 1.41(3) . ?
O2 C22 1.36(2) . ?
O2 C41 1.42(3) . ?
O2A C22 1.42(3) . ?
O2A C41A 1.42(3) . ?
N1 C1 1.348(15) . ?
N1 C5 1.402(13) . ?
N2 C16 1.389(13) . ?
N2 C19 1.336(14) . ?
N3 C18 1.410(14) . ?
N3 C19 1.309(14) . ?
N4 C26 1.380(16) . ?
N4 C30 1.369(15) . ?
C1 H1 0.9500 . ?
C1 C2 1.386(18) . ?
C2 H2 0.9500 . ?
C2 C3 1.368(17) . ?
C3 C4 1.374(17) . ?
C3 C12 1.536(17) . ?
C4 H4 0.9500 . ?
C4 C5 1.392(16) . ?
C5 C6 1.466(16) . ?
C6 C7 1.385(15) . ?
C6 C11 1.398(15) . ?
C7 C8 1.418(15) . ?
C8 C9 1.404(14) . ?
C8 C16 1.444(14) . ?
C9 C10 1.370(15) . ?
C10 C11 1.391(16) . ?
C12 C13 1.59(2) . ?
C12 C14 1.603(18) . ?
C12 C15 1.48(2) . ?
C13 H13A 0.9599 . ?
C13 H13B 0.9597 . ?
C13 H13C 0.9598 . ?
C14 H14A 0.9603 . ?
C14 H14B 0.9596 . ?
C14 H14C 0.9602 . ?
C15 H15A 0.9604 . ?
C15 H15B 0.9597 . ?
C15 H15C 0.9602 . ?
C16 C17 1.372(16) . ?
C17 H17 0.9500 . ?
C17 C18 1.351(16) . ?
C18 C20 1.417(16) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(18) . ?
C20 C25 1.424(16) . ?
C21 C22 1.370(18) . ?
C22 C23 1.420(19) . ?
C23 C24 1.367(18) . ?
C24 C25 1.409(17) . ?
C24 C26 1.466(18) . ?
C26 C27 1.396(18) . ?
C27 H27 0.9500 . ?
C27 C28 1.421(18) . ?
C28 C29 1.356(18) . ?
C28 C31 1.540(19) . ?
C29 H29 0.9500 . ?
C29 C30 1.369(16) . ?
C30 H30 0.9500 . ?
C31 C32 1.62(3) . ?
C31 C33 1.47(2) . ?
C31 C34 1.46(2) . ?
C32 H32A 0.9606 . ?
C32 H32B 0.9601 . ?
C32 H32C 0.9598 . ?
C33 H33A 0.9599 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9604 . ?
C34 H34A 0.9604 . ?
C34 H34B 0.9597 . ?
C34 H34C 0.9601 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.522(10) . ?
C35A H35C 0.9900 . ?
C35A H35D 0.9900 . ?
C35A C36A 1.522(10) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.522(10) . ?
C36A H36C 0.9900 . ?
C36A H36D 0.9900 . ?
C36A C37A 1.522(11) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.522(10) . ?
C37A H37C 0.9900 . ?
C37A H37D 0.9900 . ?
C37A C38A 1.522(10) . ?
C38 H38C 0.9900 . ?
C38 H38D 0.9900 . ?
C38 C39 1.522(11) . ?
C38A H38A 0.9900 . ?
C38A H38B 0.9900 . ?
C38A C39A 1.522(11) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.522(10) . ?
C39A H39C 0.9900 . ?
C39A H39D 0.9900 . ?
C39A C40A 1.522(10) . ?
C40 H40D 0.9802 . ?
C40 H40E 0.9803 . ?
C40 H40F 0.9799 . ?
C40A H40A 0.9800 . ?
C40A H40B 0.9800 . ?
C40A H40C 0.9799 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.542(10) . ?
C41A H41C 0.9900 . ?
C41A H41D 0.9900 . ?
C41A C42A 1.545(10) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.539(10) . ?
C42A H42C 0.9900 . ?
C42A H42D 0.9900 . ?
C42A C43A 1.532(10) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.545(10) . ?
C43A H43C 0.9900 . ?
C43A H43D 0.9900 . ?
C43A C44A 1.543(10) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C45 1.540(10) . ?
C44A H44C 0.9900 . ?
C44A H44D 0.9900 . ?
C44A C45A 1.535(10) . ?
C45 H45C 0.9900 . ?
C45 H45D 0.9900 . ?
C45 C46 1.540(10) . ?
C45A H45A 0.9900 . ?
C45A H45B 0.9900 . ?
C45A C46A 1.541(7) . ?
C46 H46D 0.9801 . ?
C46 H46E 0.9799 . ?
C46 H46F 0.9801 . ?
C46A H46A 0.9802 . ?
C46A H46B 0.9799 . ?
C46A H46C 0.9802 . ?
Pt3 I3 2.6758(10) . ?
Pt3 N51 2.012(8) . ?
Pt3 N52 2.051(9) . ?
Pt3 C57 1.934(12) . ?
Pt4 I4 2.6751(11) . ?
Pt4 N53 2.036(9) . ?
Pt4 N54 2.040(9) . ?
Pt4 C75 1.951(12) . ?
F51 C61 1.369(12) . ?
F52 C59 1.339(12) . ?
F53 C71 1.345(14) . ?
F54 C73 1.359(12) . ?
O3 C60 1.368(14) . ?
O3 C85 1.409(14) . ?
O4 C72 1.360(15) . ?
O4 C91 1.410(18) . ?
N51 C51 1.332(15) . ?
N51 C55 1.375(15) . ?
N52 C66 1.367(15) . ?
N52 C69 1.367(14) . ?
N53 C68 1.391(16) . ?
N53 C69 1.326(13) . ?
N54 C76 1.390(15) . ?
N54 C80 1.319(16) . ?
C51 H51 0.9500 . ?
C51 C52 1.347(16) . ?
C52 H52 0.9500 . ?
C52 C53 1.383(18) . ?
C53 C54 1.415(17) . ?
C53 C62 1.559(14) . ?
C54 H54 0.9500 . ?
C54 C55 1.394(15) . ?
C55 C56 1.472(15) . ?
C56 C57 1.390(14) . ?
C56 C61 1.373(16) . ?
C57 C58 1.399(15) . ?
C58 C59 1.426(17) . ?
C58 C66 1.402(15) . ?
C59 C60 1.397(15) . ?
C60 C61 1.390(16) . ?
C62 C63 1.496(18) . ?
C62 C64 1.542(17) . ?
C62 C65 1.555(18) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9602 . ?
C63 H63C 0.9601 . ?
C64 H64A 0.9601 . ?
C64 H64B 0.9601 . ?
C64 H64C 0.9601 . ?
C65 H65A 0.9595 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9601 . ?
C66 C67 1.422(14) . ?
C67 H67 0.9500 . ?
C67 C68 1.320(16) . ?
C68 C70 1.470(14) . ?
C69 H69 0.9500 . ?
C70 C71 1.339(17) . ?
C70 C75 1.387(16) . ?
C71 C72 1.434(15) . ?
C72 C73 1.392(17) . ?
C73 C74 1.387(17) . ?
C74 C75 1.395(15) . ?
C74 C76 1.422(17) . ?
C76 C77 1.379(14) . ?
C77 H77 0.9500 . ?
C77 C78 1.386(18) . ?
C78 C79 1.387(19) . ?
C78 C81 1.554(15) . ?
C79 H79 0.9500 . ?
C79 C80 1.364(16) . ?
C80 H80 0.9500 . ?
C81 C82 1.59(2) . ?
C81 C83 1.562(17) . ?
C81 C84 1.513(19) . ?
C82 H82A 0.9606 . ?
C82 H82B 0.9601 . ?
C82 H82C 0.9605 . ?
C83 H83A 0.9596 . ?
C83 H83B 0.9595 . ?
C83 H83C 0.9604 . ?
C84 H84A 0.9602 . ?
C84 H84B 0.9597 . ?
C84 H84C 0.9598 . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C85 C86 1.494(19) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C86 C87 1.55(2) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C87 C88 1.564(19) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C88 C89 1.551(18) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 C90 1.52(2) . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9597 . ?
C90 H90C 0.9601 . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C91 C92 1.538(5) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C92 C93 1.540(5) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C93 C94 1.541(5) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C94 C95 1.543(5) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C95 C96 1.542(5) . ?
C96 H96A 0.9799 . ?
C96 H96B 0.9802 . ?
C96 H96C 0.9802 . ?
Cl2 C47 1.78(3) . ?
Cl5 C47 1.57(3) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
Cl3 C49 1.74(2) . ?
Cl4 C49 1.82(2) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?

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 Pt1 I1 100.4(2) . . ?
N1 Pt1 N2 161.2(3) . . ?
N2 Pt1 I1 98.3(2) . . ?
C7 Pt1 I1 179.2(3) . . ?
C7 Pt1 N1 80.4(4) . . ?
C7 Pt1 N2 80.9(4) . . ?
N3 Pt2 I2 100.4(2) . . ?
N3 Pt2 N4 160.8(4) . . ?
N4 Pt2 I2 98.8(3) . . ?
C25 Pt2 I2 173.0(4) . . ?
C25 Pt2 N3 80.3(4) . . ?
C25 Pt2 N4 80.6(5) . . ?
C10 O1 C35 115.4(9) . . ?
C10 O1 C35A 116.3(12) . . ?
C22 O2 C41 101(2) . . ?
C22 O2A C41A 133(2) . . ?
C1 N1 Pt1 127.0(8) . . ?
C1 N1 C5 117.7(10) . . ?
C5 N1 Pt1 115.2(7) . . ?
C16 N2 Pt1 113.7(7) . . ?
C19 N2 Pt1 128.9(8) . . ?
C19 N2 C16 117.4(10) . . ?
C18 N3 Pt2 116.0(7) . . ?
C19 N3 Pt2 128.4(7) . . ?
C19 N3 C18 115.6(9) . . ?
C26 N4 Pt2 115.9(8) . . ?
C30 N4 Pt2 126.6(8) . . ?
C30 N4 C26 117.6(11) . . ?
N1 C1 H1 119.1 . . ?
N1 C1 C2 121.9(11) . . ?
C2 C1 H1 119.1 . . ?
C1 C2 H2 119.0 . . ?
C3 C2 C1 122.0(13) . . ?
C3 C2 H2 119.0 . . ?
C2 C3 C4 116.3(11) . . ?
C2 C3 C12 120.2(12) . . ?
C4 C3 C12 123.4(11) . . ?
C3 C4 H4 118.6 . . ?
C3 C4 C5 122.8(11) . . ?
C5 C4 H4 118.6 . . ?
N1 C5 C6 111.6(10) . . ?
C4 C5 N1 119.3(10) . . ?
C4 C5 C6 129.1(10) . . ?
C7 C6 C5 113.5(10) . . ?
C7 C6 C11 118.2(10) . . ?
C11 C6 C5 128.4(10) . . ?
C6 C7 Pt1 119.3(8) . . ?
C6 C7 C8 122.4(9) . . ?
C8 C7 Pt1 118.2(8) . . ?
C7 C8 C16 113.5(9) . . ?
C9 C8 C7 116.4(9) . . ?
C9 C8 C16 130.1(10) . . ?
F2 C9 C8 119.9(10) . . ?
F2 C9 C10 117.5(9) . . ?
C10 C9 C8 122.4(10) . . ?
C9 C10 O1 122.7(10) . . ?
C9 C10 C11 119.4(9) . . ?
C11 C10 O1 117.7(10) . . ?
F1 C11 C6 121.1(11) . . ?
F1 C11 C10 117.7(10) . . ?
C10 C11 C6 121.1(10) . . ?
C3 C12 C13 106.5(11) . . ?
C3 C12 C14 109.6(10) . . ?
C13 C12 C14 106.4(12) . . ?
C15 C12 C3 111.3(12) . . ?
C15 C12 C13 112.6(13) . . ?
C15 C12 C14 110.1(12) . . ?
C12 C13 H13A 109.9 . . ?
C12 C13 H13B 108.4 . . ?
C12 C13 H13C 110.1 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 110.8 . . ?
C12 C14 H14B 109.7 . . ?
C12 C14 H14C 107.9 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.4 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 108.8 . . ?
C12 C15 H15B 109.7 . . ?
C12 C15 H15C 109.9 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.4 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 C8 113.7(10) . . ?
C17 C16 N2 118.9(9) . . ?
C17 C16 C8 127.3(10) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.4(10) . . ?
C18 C17 H17 119.8 . . ?
N3 C18 C20 112.0(10) . . ?
C17 C18 N3 120.8(10) . . ?
C17 C18 C20 127.2(11) . . ?
N2 C19 H19 116.5 . . ?
N3 C19 N2 126.9(10) . . ?
N3 C19 H19 116.5 . . ?
C18 C20 C25 114.1(11) . . ?
C21 C20 C18 133.0(12) . . ?
C21 C20 C25 112.7(11) . . ?
C20 C21 F3 116.2(11) . . ?
C22 C21 F3 116.5(12) . . ?
C22 C21 C20 127.3(13) . . ?
O2 C22 C21 120.5(15) . . ?
O2 C22 C23 119.1(13) . . ?
O2A C22 C23 122.3(15) . . ?
C21 C22 O2A 121.3(15) . . ?
C21 C22 C23 116.0(12) . . ?
F4 C23 C22 115.8(12) . . ?
F4 C23 C24 121.8(12) . . ?
C24 C23 C22 122.4(12) . . ?
C23 C24 C25 117.2(11) . . ?
C23 C24 C26 130.0(12) . . ?
C25 C24 C26 112.7(11) . . ?
C20 C25 Pt2 117.6(9) . . ?
C24 C25 Pt2 117.9(9) . . ?
C24 C25 C20 124.3(11) . . ?
N4 C26 C24 112.5(11) . . ?
N4 C26 C27 121.9(12) . . ?
C27 C26 C24 125.6(12) . . ?
C26 C27 H27 120.5 . . ?
C26 C27 C28 118.9(12) . . ?
C28 C27 H27 120.5 . . ?
C27 C28 C31 118.7(13) . . ?
C29 C28 C27 117.4(12) . . ?
C29 C28 C31 123.9(13) . . ?
C28 C29 H29 118.6 . . ?
C28 C29 C30 122.7(12) . . ?
C30 C29 H29 118.6 . . ?
N4 C30 H30 119.3 . . ?
C29 C30 N4 121.4(12) . . ?
C29 C30 H30 119.3 . . ?
C28 C31 C32 104.9(14) . . ?
C33 C31 C28 113.4(14) . . ?
C33 C31 C32 102.3(16) . . ?
C34 C31 C28 111.0(14) . . ?
C34 C31 C32 105.6(17) . . ?
C34 C31 C33 118.0(17) . . ?
C31 C32 H32A 110.0 . . ?
C31 C32 H32B 109.1 . . ?
C31 C32 H32C 109.3 . . ?
H32A C32 H32B 109.4 . . ?
H32A C32 H32C 109.4 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.1 . . ?
C31 C33 H33B 109.3 . . ?
C31 C33 H33C 110.0 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.4 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.0 . . ?
C31 C34 H34B 108.8 . . ?
C31 C34 H34C 110.7 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.4 . . ?
H34B C34 H34C 109.5 . . ?
O1 C35 H35A 109.3 . . ?
O1 C35 H35B 109.3 . . ?
O1 C35 C36 111.7(15) . . ?
H35A C35 H35B 107.9 . . ?
C36 C35 H35A 109.3 . . ?
C36 C35 H35B 109.3 . . ?
O1 C35A H35C 110.0 . . ?
O1 C35A H35D 110.0 . . ?
O1 C35A C36A 108(2) . . ?
H35C C35A H35D 108.4 . . ?
C36A C35A H35C 110.0 . . ?
C36A C35A H35D 110.0 . . ?
C35 C36 H36A 108.6 . . ?
C35 C36 H36B 108.6 . . ?
C35 C36 C37 114.8(19) . . ?
H36A C36 H36B 107.5 . . ?
C37 C36 H36A 108.6 . . ?
C37 C36 H36B 108.6 . . ?
C35A C36A H36C 108.0 . . ?
C35A C36A H36D 108.0 . . ?
C35A C36A C37A 117(2) . . ?
H36C C36A H36D 107.2 . . ?
C37A C36A H36C 108.0 . . ?
C37A C36A H36D 108.0 . . ?
C36 C37 H37A 108.0 . . ?
C36 C37 H37B 108.0 . . ?
H37A C37 H37B 107.3 . . ?
C38 C37 C36 117(2) . . ?
C38 C37 H37A 108.0 . . ?
C38 C37 H37B 108.0 . . ?
C36A C37A H37C 110.0 . . ?
C36A C37A H37D 110.0 . . ?
H37C C37A H37D 108.4 . . ?
C38A C37A C36A 108(2) . . ?
C38A C37A H37C 110.0 . . ?
C38A C37A H37D 110.0 . . ?
C37 C38 H38C 110.6 . . ?
C37 C38 H38D 110.6 . . ?
H38C C38 H38D 108.8 . . ?
C39 C38 C37 105(2) . . ?
C39 C38 H38C 110.6 . . ?
C39 C38 H38D 110.6 . . ?
C37A C38A H38A 110.6 . . ?
C37A C38A H38B 110.6 . . ?
C37A C38A C39A 106(2) . . ?
H38A C38A H38B 108.7 . . ?
C39A C38A H38A 110.6 . . ?
C39A C38A H38B 110.6 . . ?
C38 C39 H39A 109.8 . . ?
C38 C39 H39B 109.8 . . ?
C38 C39 C40 110(3) . . ?
H39A C39 H39B 108.2 . . ?
C40 C39 H39A 109.8 . . ?
C40 C39 H39B 109.8 . . ?
C38A C39A H39C 109.6 . . ?
C38A C39A H39D 109.6 . . ?
H39C C39A H39D 108.1 . . ?
C40A C39A C38A 110(3) . . ?
C40A C39A H39C 109.6 . . ?
C40A C39A H39D 109.6 . . ?
C39 C40 H40D 109.8 . . ?
C39 C40 H40E 109.0 . . ?
C39 C40 H40F 109.6 . . ?
H40D C40 H40E 109.5 . . ?
H40D C40 H40F 109.4 . . ?
H40E C40 H40F 109.5 . . ?
C39A C40A H40A 102.5 . . ?
C39A C40A H40B 113.1 . . ?
C39A C40A H40C 112.5 . . ?
H40A C40A H40B 109.5 . . ?
H40A C40A H40C 109.5 . . ?
H40B C40A H40C 109.5 . . ?
O2 C41 H41A 110.3 . . ?
O2 C41 H41B 110.3 . . ?
O2 C41 C42 107(3) . . ?
H41A C41 H41B 108.6 . . ?
C42 C41 H41A 110.3 . . ?
C42 C41 H41B 110.3 . . ?
O2A C41A H41C 105.7 . . ?
O2A C41A H41D 105.7 . . ?
O2A C41A C42A 127(4) . . ?
H41C C41A H41D 106.1 . . ?
C42A C41A H41C 105.7 . . ?
C42A C41A H41D 105.7 . . ?
C41 C42 H42A 109.4 . . ?
C41 C42 H42B 109.4 . . ?
H42A C42 H42B 108.0 . . ?
C43 C42 C41 111.1(8) . . ?
C43 C42 H42A 109.4 . . ?
C43 C42 H42B 109.4 . . ?
C41A C42A H42C 109.4 . . ?
C41A C42A H42D 109.4 . . ?
H42C C42A H42D 108.0 . . ?
C43A C42A C41A 111.4(8) . . ?
C43A C42A H42C 109.4 . . ?
C43A C42A H42D 109.4 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 C44 110.9(8) . . ?
H43A C43 H43B 108.0 . . ?
C44 C43 H43A 109.5 . . ?
C44 C43 H43B 109.5 . . ?
C42A C43A H43C 109.3 . . ?
C42A C43A H43D 109.3 . . ?
C42A C43A C44A 111.5(9) . . ?
H43C C43A H43D 108.0 . . ?
C44A C43A H43C 109.3 . . ?
C44A C43A H43D 109.3 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 108.1 . . ?
C45 C44 C43 110.7(8) . . ?
C45 C44 H44A 109.5 . . ?
C45 C44 H44B 109.5 . . ?
C43A C44A H44C 109.4 . . ?
C43A C44A H44D 109.4 . . ?
H44C C44A H44D 108.0 . . ?
C45A C44A C43A 111.3(8) . . ?
C45A C44A H44C 109.4 . . ?
C45A C44A H44D 109.4 . . ?
C44 C45 H45C 109.4 . . ?
C44 C45 H45D 109.4 . . ?
C44 C45 C46 111.2(8) . . ?
H45C C45 H45D 108.0 . . ?
C46 C45 H45C 109.4 . . ?
C46 C45 H45D 109.4 . . ?
C44A C45A H45A 109.3 . . ?
C44A C45A H45B 109.3 . . ?
C44A C45A C46A 111.6(8) . . ?
H45A C45A H45B 108.0 . . ?
C46A C45A H45A 109.3 . . ?
C46A C45A H45B 109.3 . . ?
C45 C46 H46D 106.2 . . ?
C45 C46 H46E 113.2 . . ?
C45 C46 H46F 109.0 . . ?
H46D C46 H46E 109.5 . . ?
H46D C46 H46F 109.5 . . ?
H46E C46 H46F 109.5 . . ?
C45A C46A H46A 93.8 . . ?
C45A C46A H46B 120.6 . . ?
C45A C46A H46C 112.7 . . ?
H46A C46A H46B 109.5 . . ?
H46A C46A H46C 109.5 . . ?
H46B C46A H46C 109.4 . . ?
N51 Pt3 I3 98.9(3) . . ?
N51 Pt3 N52 160.6(4) . . ?
N52 Pt3 I3 100.5(3) . . ?
C57 Pt3 I3 179.4(3) . . ?
C57 Pt3 N51 81.3(4) . . ?
C57 Pt3 N52 79.3(4) . . ?
N53 Pt4 I4 99.3(3) . . ?
N53 Pt4 N54 160.2(4) . . ?
N54 Pt4 I4 100.3(3) . . ?
C75 Pt4 I4 177.0(3) . . ?
C75 Pt4 N53 80.3(5) . . ?
C75 Pt4 N54 80.0(4) . . ?
C60 O3 C85 115.5(10) . . ?
C72 O4 C91 113.1(10) . . ?
C51 N51 Pt3 129.1(8) . . ?
C51 N51 C55 115.6(9) . . ?
C55 N51 Pt3 115.3(7) . . ?
C66 N52 Pt3 114.8(7) . . ?
C66 N52 C69 120.8(9) . . ?
C69 N52 Pt3 124.3(9) . . ?
C68 N53 Pt4 115.5(7) . . ?
C69 N53 Pt4 125.2(9) . . ?
C69 N53 C68 119.2(9) . . ?
C76 N54 Pt4 114.5(8) . . ?
C80 N54 Pt4 126.1(8) . . ?
C80 N54 C76 119.3(10) . . ?
N51 C51 H51 117.3 . . ?
N51 C51 C52 125.5(12) . . ?
C52 C51 H51 117.3 . . ?
C51 C52 H52 119.8 . . ?
C51 C52 C53 120.4(12) . . ?
C53 C52 H52 119.8 . . ?
C52 C53 C54 116.9(10) . . ?
C52 C53 C62 122.0(11) . . ?
C54 C53 C62 121.1(11) . . ?
C53 C54 H54 120.6 . . ?
C55 C54 C53 118.7(12) . . ?
C55 C54 H54 120.6 . . ?
N51 C55 C54 122.9(11) . . ?
N51 C55 C56 112.6(9) . . ?
C54 C55 C56 124.5(12) . . ?
C57 C56 C55 114.2(10) . . ?
C61 C56 C55 131.4(10) . . ?
C61 C56 C57 114.3(10) . . ?
C56 C57 Pt3 116.5(8) . . ?
C56 C57 C58 126.4(11) . . ?
C58 C57 Pt3 117.0(8) . . ?
C57 C58 C59 114.7(9) . . ?
C57 C58 C66 114.9(11) . . ?
C66 C58 C59 130.4(10) . . ?
F52 C59 C58 118.8(9) . . ?
F52 C59 C60 119.1(11) . . ?
C60 C59 C58 122.1(10) . . ?
O3 C60 C59 120.7(10) . . ?
O3 C60 C61 122.1(10) . . ?
C61 C60 C59 117.2(11) . . ?
F51 C61 C56 119.9(10) . . ?
F51 C61 C60 114.7(10) . . ?
C56 C61 C60 125.3(10) . . ?
C63 C62 C53 111.6(10) . . ?
C63 C62 C64 109.5(11) . . ?
C63 C62 C65 110.7(10) . . ?
C64 C62 C53 108.2(9) . . ?
C64 C62 C65 110.3(11) . . ?
C65 C62 C53 106.3(10) . . ?
C62 C63 H63A 109.1 . . ?
C62 C63 H63B 109.2 . . ?
C62 C63 H63C 110.1 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C62 C64 H64A 109.1 . . ?
C62 C64 H64B 109.9 . . ?
C62 C64 H64C 109.4 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.4 . . ?
C62 C65 H65A 109.2 . . ?
C62 C65 H65B 109.4 . . ?
C62 C65 H65C 109.8 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N52 C66 C58 113.9(10) . . ?
N52 C66 C67 115.9(10) . . ?
C58 C66 C67 130.2(11) . . ?
C66 C67 H67 118.8 . . ?
C68 C67 C66 122.5(12) . . ?
C68 C67 H67 118.8 . . ?
N53 C68 C70 112.4(10) . . ?
C67 C68 N53 119.6(10) . . ?
C67 C68 C70 128.0(12) . . ?
N52 C69 H69 119.0 . . ?
N53 C69 N52 122.0(11) . . ?
N53 C69 H69 119.0 . . ?
C71 C70 C68 128.0(10) . . ?
C71 C70 C75 117.4(10) . . ?
C75 C70 C68 114.4(11) . . ?
F53 C71 C72 114.1(11) . . ?
C70 C71 F53 124.1(10) . . ?
C70 C71 C72 121.8(11) . . ?
O4 C72 C71 121.5(11) . . ?
O4 C72 C73 121.0(10) . . ?
C73 C72 C71 117.2(11) . . ?
F54 C73 C72 117.2(11) . . ?
F54 C73 C74 119.3(10) . . ?
C74 C73 C72 123.4(10) . . ?
C73 C74 C75 114.4(10) . . ?
C73 C74 C76 131.0(10) . . ?
C75 C74 C76 114.5(11) . . ?
C70 C75 Pt4 117.4(9) . . ?
C70 C75 C74 125.5(11) . . ?
C74 C75 Pt4 117.0(9) . . ?
N54 C76 C74 114.0(10) . . ?
C77 C76 N54 117.5(12) . . ?
C77 C76 C74 128.4(12) . . ?
C76 C77 H77 118.7 . . ?
C76 C77 C78 122.5(12) . . ?
C78 C77 H77 118.7 . . ?
C77 C78 C79 117.9(11) . . ?
C77 C78 C81 124.5(12) . . ?
C79 C78 C81 117.6(12) . . ?
C78 C79 H79 121.0 . . ?
C80 C79 C78 117.9(13) . . ?
C80 C79 H79 121.0 . . ?
N54 C80 C79 124.7(13) . . ?
N54 C80 H80 117.7 . . ?
C79 C80 H80 117.7 . . ?
C78 C81 C82 111.3(12) . . ?
C78 C81 C83 110.1(9) . . ?
C83 C81 C82 105.9(11) . . ?
C84 C81 C78 108.3(10) . . ?
C84 C81 C82 108.7(11) . . ?
C84 C81 C83 112.6(13) . . ?
C81 C82 H82A 109.2 . . ?
C81 C82 H82B 110.9 . . ?
C81 C82 H82C 108.4 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.4 . . ?
H82B C82 H82C 109.5 . . ?
C81 C83 H83A 110.1 . . ?
C81 C83 H83B 109.2 . . ?
C81 C83 H83C 109.1 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C81 C84 H84A 109.8 . . ?
C81 C84 H84B 109.6 . . ?
C81 C84 H84C 109.0 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
O3 C85 H85A 110.0 . . ?
O3 C85 H85B 110.0 . . ?
O3 C85 C86 108.7(11) . . ?
H85A C85 H85B 108.3 . . ?
C86 C85 H85A 110.0 . . ?
C86 C85 H85B 110.0 . . ?
C85 C86 H86A 109.1 . . ?
C85 C86 H86B 109.1 . . ?
C85 C86 C87 112.6(12) . . ?
H86A C86 H86B 107.8 . . ?
C87 C86 H86A 109.1 . . ?
C87 C86 H86B 109.1 . . ?
C86 C87 H87A 108.7 . . ?
C86 C87 H87B 108.7 . . ?
C86 C87 C88 114.2(12) . . ?
H87A C87 H87B 107.6 . . ?
C88 C87 H87A 108.7 . . ?
C88 C87 H87B 108.7 . . ?
C87 C88 H88A 108.5 . . ?
C87 C88 H88B 108.5 . . ?
H88A C88 H88B 107.5 . . ?
C89 C88 C87 115.0(12) . . ?
C89 C88 H88A 108.5 . . ?
C89 C88 H88B 108.5 . . ?
C88 C89 H89A 109.3 . . ?
C88 C89 H89B 109.3 . . ?
H89A C89 H89B 107.9 . . ?
C90 C89 C88 111.8(11) . . ?
C90 C89 H89A 109.3 . . ?
C90 C89 H89B 109.3 . . ?
C89 C90 H90A 110.8 . . ?
C89 C90 H90B 108.9 . . ?
C89 C90 H90C 108.7 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
O4 C91 H91A 110.2 . . ?
O4 C91 H91B 110.2 . . ?
O4 C91 C92 107.5(13) . . ?
H91A C91 H91B 108.5 . . ?
C92 C91 H91A 110.2 . . ?
C92 C91 H91B 110.2 . . ?
C91 C92 H92A 110.3 . . ?
C91 C92 H92B 110.3 . . ?
C91 C92 C93 107.1(17) . . ?
H92A C92 H92B 108.6 . . ?
C93 C92 H92A 110.3 . . ?
C93 C92 H92B 110.3 . . ?
C92 C93 H93A 108.0 . . ?
C92 C93 H93B 108.0 . . ?
C92 C93 C94 117(2) . . ?
H93A C93 H93B 107.2 . . ?
C94 C93 H93A 108.0 . . ?
C94 C93 H93B 108.0 . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
C93 C94 C95 110.9(5) . . ?
H94A C94 H94B 108.1 . . ?
C95 C94 H94A 109.5 . . ?
C95 C94 H94B 109.5 . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 108.1 . . ?
C96 C95 C94 110.8(5) . . ?
C96 C95 H95A 109.5 . . ?
C96 C95 H95B 109.5 . . ?
C95 C96 H96A 109.7 . . ?
C95 C96 H96B 109.4 . . ?
C95 C96 H96C 109.4 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
Cl2 C47 H47A 107.2 . . ?
Cl2 C47 H47B 107.2 . . ?
Cl5 C47 Cl2 120.7(18) . . ?
Cl5 C47 H47A 107.2 . . ?
Cl5 C47 H47B 107.2 . . ?
H47A C47 H47B 106.8 . . ?
Cl3 C49 Cl4 106.9(11) . . ?
Cl3 C49 H49A 110.4 . . ?
Cl3 C49 H49B 110.4 . . ?
Cl4 C49 H49A 110.4 . . ?
Cl4 C49 H49B 110.4 . . ?
H49A C49 H49B 108.6 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 633.6 84.9 '2 CH2Cl2'
2 0.102 0.333 0.815 7.3 0.3 ?
3 0.898 0.667 0.185 7.3 0.0 ?


_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
