# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1830652'
_audit_update_record             
;
2018-03-18 deposited with the CCDC.
2018-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C74 H71 Cl11 N4 O2 P2 Pt2'
_chemical_formula_sum            'C74 H71 Cl11 N4 O2 P2 Pt2'
_chemical_formula_weight         1890.41

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'
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'
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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   17.8378(9)
_cell_length_b                   18.8895(8)
_cell_length_c                   22.3559(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7532.7(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8235
_cell_measurement_theta_min      3.0020
_cell_measurement_theta_max      26.8430

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_F_000             3728
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    4.191
_shelx_estimated_absorpt_T_min   0.366
_shelx_estimated_absorpt_T_max   0.459
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.83676
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   SADABS,Bruker,2000
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27665
_diffrn_reflns_av_unetI/netI     0.0732
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.284
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_point_group_measured_fraction_full 0.956
_reflns_number_total             14116
_reflns_number_gt                11606
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.752
_reflns_Friedel_fraction_max     0.900
_reflns_Friedel_fraction_full    0.906

_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.
;

_computing_data_collection       SMART,(Bruker,2000)
_computing_cell_refinement       SMART
_computing_data_reduction        SAINT(Bruker,2000)
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0381P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 4259 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.014(4)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         14116
_refine_ls_number_parameters     860
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0404
_refine_ls_wR_factor_ref         0.0893
_refine_ls_wR_factor_gt          0.0823
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
C1 C 0.2792(6) -0.0292(6) 0.7190(4) 0.040(3) Uani 1 1 d . . . . .
C2 C 0.0300(6) 0.1051(5) 0.7721(5) 0.041(3) Uani 1 1 d . . . . .
C3 C 0.3234(6) -0.0511(5) 0.7675(5) 0.045(3) Uani 1 1 d . . . . .
H3 H 0.300314 -0.072067 0.800332 0.053 Uiso 1 1 calc R U . . .
C4 C 0.4015(6) -0.0422(6) 0.7677(6) 0.051(3) Uani 1 1 d . . . . .
H4 H 0.429697 -0.057387 0.800253 0.062 Uiso 1 1 calc R U . . .
C5 C 0.4358(6) -0.0112(6) 0.7197(5) 0.051(3) Uani 1 1 d . . . . .
H5 H 0.487474 -0.004698 0.720223 0.061 Uiso 1 1 calc R U . . .
C6 C 0.3950(7) 0.0107(6) 0.6706(6) 0.051(3) Uani 1 1 d . . . . .
H6 H 0.418878 0.031182 0.637890 0.061 Uiso 1 1 calc R U . . .
C7 C 0.3178(7) 0.0017(6) 0.6707(5) 0.041(3) Uani 1 1 d . . . . .
C8 C 0.2708(6) 0.0260(6) 0.6196(4) 0.040(3) Uani 1 1 d . . . . .
C9 C 0.2931(7) 0.0602(6) 0.5685(5) 0.048(3) Uani 1 1 d . . . . .
H9 H 0.343289 0.071736 0.562762 0.058 Uiso 1 1 calc R U . . .
C10 C 0.2421(8) 0.0767(7) 0.5271(5) 0.059(4) Uani 1 1 d . . . . .
H10 H 0.257132 0.100490 0.492717 0.070 Uiso 1 1 calc R U . . .
C11 C 0.1657(7) 0.0589(6) 0.5344(4) 0.045(3) Uani 1 1 d . . . . .
H11 H 0.130388 0.069129 0.504996 0.055 Uiso 1 1 calc R U . . .
C12 C 0.1460(7) 0.0260(5) 0.5862(4) 0.042(3) Uani 1 1 d . . . . .
C13 C 0.0687(6) 0.0078(6) 0.6037(5) 0.038(3) Uani 1 1 d . . . . .
C14 C 0.0084(7) 0.0126(6) 0.5643(5) 0.051(3) Uani 1 1 d . . . . .
H14 H 0.016206 0.028065 0.525298 0.061 Uiso 1 1 calc R U . . .
C15 C -0.0617(7) -0.0051(6) 0.5827(5) 0.044(3) Uani 1 1 d . . . . .
C16 C -0.0730(6) -0.0251(6) 0.6424(5) 0.041(3) Uani 1 1 d . . . . .
C17 C -0.0109(5) -0.0295(5) 0.6789(4) 0.033(2) Uani 1 1 d . . . . .
H17 H -0.018194 -0.042389 0.718642 0.040 Uiso 1 1 calc R U . . .
C18 C -0.1295(8) -0.0045(8) 0.5408(5) 0.067(4) Uani 1 1 d . . . . .
H18A H -0.136112 0.042367 0.524000 0.081 Uiso 1 1 calc R U . . .
H18B H -0.121506 -0.037578 0.508237 0.081 Uiso 1 1 calc R U . . .
C19 C -0.1980(7) -0.0253(7) 0.5756(6) 0.058(3) Uani 1 1 d . . . . .
H19 H -0.244440 -0.026116 0.552154 0.070 Uiso 1 1 calc R U . . .
C20 C -0.2028(7) 0.0157(7) 0.6329(6) 0.059(4) Uani 1 1 d . . . . .
H20A H -0.252687 0.017530 0.650121 0.070 Uiso 1 1 calc R U . . .
H20B H -0.180394 0.062462 0.631027 0.070 Uiso 1 1 calc R U . . .
C21 C -0.1512(6) -0.0416(5) 0.6609(5) 0.046(3) Uani 1 1 d . . . . .
H21 H -0.159384 -0.052999 0.703155 0.055 Uiso 1 1 calc R U . . .
C22 C -0.1847(7) -0.0925(6) 0.6150(6) 0.059(4) Uani 1 1 d . . . . .
C23 C -0.2605(9) -0.1227(9) 0.6353(8) 0.097(6) Uani 1 1 d . . . . .
H23A H -0.290541 -0.085468 0.651946 0.145 Uiso 1 1 calc R U . . .
H23B H -0.252251 -0.158535 0.665074 0.145 Uiso 1 1 calc R U . . .
H23C H -0.285936 -0.143111 0.601631 0.145 Uiso 1 1 calc R U . . .
C24 C -0.1383(10) -0.1543(7) 0.5890(7) 0.082(5) Uani 1 1 d . . . . .
H24A H -0.170898 -0.185978 0.567767 0.123 Uiso 1 1 calc R U . . .
H24B H -0.114099 -0.179283 0.620978 0.123 Uiso 1 1 calc R U . . .
H24C H -0.101145 -0.135942 0.562077 0.123 Uiso 1 1 calc R U . . .
C25 C -0.0156(7) 0.0737(6) 0.8148(5) 0.046(3) Uani 1 1 d . . . . .
H25 H 0.006072 0.052378 0.848077 0.056 Uiso 1 1 calc R U . . .
C26 C -0.0929(7) 0.0736(7) 0.8086(6) 0.059(4) Uani 1 1 d . . . . .
H26 H -0.122452 0.050920 0.837075 0.071 Uiso 1 1 calc R U . . .
C27 C -0.1267(7) 0.1073(6) 0.7599(6) 0.062(3) Uani 1 1 d . . . . .
H27 H -0.178666 0.108611 0.756720 0.074 Uiso 1 1 calc R U . . .
C28 C -0.0831(7) 0.1383(6) 0.7170(6) 0.055(3) Uani 1 1 d . . . . .
H28 H -0.105744 0.160853 0.684750 0.066 Uiso 1 1 calc R U . . .
C29 C -0.0060(6) 0.1366(5) 0.7210(5) 0.042(3) Uani 1 1 d . . . . .
C30 C 0.0437(7) 0.1666(5) 0.6755(5) 0.042(3) Uani 1 1 d . . . . .
C31 C 0.0229(9) 0.1985(7) 0.6204(6) 0.061(4) Uani 1 1 d . . . . .
H31 H -0.027100 0.200689 0.608874 0.074 Uiso 1 1 calc R U . . .
C32 C 0.0793(10) 0.2266(7) 0.5837(5) 0.068(4) Uani 1 1 d . . . . .
H32 H 0.067163 0.248063 0.547504 0.082 Uiso 1 1 calc R U . . .
C33 C 0.1519(10) 0.2220(6) 0.6018(5) 0.062(4) Uani 1 1 d . . . . .
H33 H 0.189649 0.240651 0.577826 0.075 Uiso 1 1 calc R U . . .
C34 C 0.1699(8) 0.1906(6) 0.6545(4) 0.048(3) Uani 1 1 d . . . . .
C35 C 0.2466(7) 0.1850(6) 0.6825(5) 0.042(3) Uani 1 1 d . . . . .
C36 C 0.3071(8) 0.2191(6) 0.6568(6) 0.057(4) Uani 1 1 d . . . . .
H36 H 0.301442 0.243567 0.620990 0.069 Uiso 1 1 calc R U . . .
C37 C 0.3755(8) 0.2166(7) 0.6846(6) 0.058(4) Uani 1 1 d . . . . .
C38 C 0.3822(7) 0.1778(6) 0.7375(5) 0.050(3) Uani 1 1 d . . . . .
C39 C 0.3193(6) 0.1446(5) 0.7593(5) 0.042(3) Uani 1 1 d . . . . .
H39 H 0.324190 0.117147 0.793617 0.050 Uiso 1 1 calc R U . . .
C40 C 0.4448(9) 0.2556(9) 0.6632(7) 0.086(5) Uani 1 1 d . . . . .
H40A H 0.458247 0.238846 0.623638 0.103 Uiso 1 1 calc R U . . .
H40B H 0.433814 0.305769 0.660368 0.103 Uiso 1 1 calc R U . . .
C41 C 0.5105(8) 0.2446(7) 0.7054(7) 0.072(4) Uani 1 1 d . . . . .
H41 H 0.557075 0.268428 0.693720 0.087 Uiso 1 1 calc R U . . .
C42 C 0.5183(7) 0.1640(7) 0.7188(6) 0.065(4) Uani 1 1 d . . . . .
H42A H 0.502965 0.133406 0.686171 0.078 Uiso 1 1 calc R U . . .
H42B H 0.566716 0.150184 0.734693 0.078 Uiso 1 1 calc R U . . .
C43 C 0.4573(7) 0.1758(6) 0.7669(6) 0.056(3) Uani 1 1 d . . . . .
H43 H 0.461240 0.146511 0.802909 0.067 Uiso 1 1 calc R U . . .
C44 C 0.4875(8) 0.2539(7) 0.7725(7) 0.069(4) Uani 1 1 d . . . . .
C45 C 0.5549(8) 0.2573(9) 0.8136(7) 0.087(5) Uani 1 1 d . . . . .
H45A H 0.538298 0.259937 0.854407 0.131 Uiso 1 1 calc R U . . .
H45B H 0.584157 0.298556 0.804271 0.131 Uiso 1 1 calc R U . . .
H45C H 0.585037 0.215702 0.808259 0.131 Uiso 1 1 calc R U . . .
C46 C 0.4307(9) 0.3123(7) 0.7869(9) 0.105(7) Uani 1 1 d . . . . .
H46A H 0.453590 0.357784 0.780858 0.158 Uiso 1 1 calc R U . . .
H46B H 0.414940 0.308069 0.827780 0.158 Uiso 1 1 calc R U . . .
H46C H 0.388004 0.307772 0.761032 0.158 Uiso 1 1 calc R U . . .
C47 C 0.1920(6) -0.1660(5) 0.8100(4) 0.037(3) Uani 1 1 d . . . . .
C48 C 0.2330(6) -0.1994(6) 0.7644(5) 0.045(3) Uani 1 1 d . . . . .
H48 H 0.235755 -0.179263 0.726503 0.054 Uiso 1 1 calc R U . . .
C49 C 0.2696(7) -0.2631(6) 0.7765(7) 0.061(4) Uani 1 1 d . . . . .
H49 H 0.297802 -0.285098 0.746815 0.074 Uiso 1 1 calc R U . . .
C50 C 0.2641(7) -0.2932(7) 0.8319(7) 0.063(4) Uani 1 1 d . . . . .
H50 H 0.289416 -0.335207 0.839740 0.076 Uiso 1 1 calc R U . . .
C51 C 0.2211(7) -0.2619(7) 0.8770(6) 0.055(3) Uani 1 1 d . . . . .
H51 H 0.217020 -0.282237 0.914719 0.066 Uiso 1 1 calc R U . . .
C52 C 0.1855(6) -0.2004(6) 0.8631(5) 0.043(3) Uani 1 1 d . . . . .
H52 H 0.154538 -0.180513 0.892063 0.052 Uiso 1 1 calc R U . . .
C53 C -0.0086(7) -0.0958(6) 0.8383(5) 0.045(3) Uani 1 1 d . . . . .
H53 H 0.004638 -0.066476 0.869960 0.054 Uiso 1 1 calc R U . . .
C54 C -0.0833(7) -0.1187(8) 0.8309(6) 0.064(4) Uani 1 1 d . . . . .
H54 H -0.120252 -0.102395 0.856724 0.077 Uiso 1 1 calc R U . . .
C55 C -0.1018(7) -0.1648(7) 0.7859(7) 0.062(4) Uani 1 1 d . . . . .
H55 H -0.151262 -0.179241 0.781225 0.074 Uiso 1 1 calc R U . . .
C56 C -0.0475(8) -0.1898(6) 0.7475(6) 0.062(4) Uani 1 1 d . . . . .
H56 H -0.059979 -0.222269 0.717845 0.075 Uiso 1 1 calc R U . . .
C57 C 0.0255(6) -0.1666(5) 0.7532(4) 0.040(3) Uani 1 1 d . . . . .
H57 H 0.062160 -0.183553 0.727407 0.048 Uiso 1 1 calc R U . . .
C58 C 0.0445(5) -0.1180(5) 0.7973(4) 0.034(2) Uani 1 1 d . . . . .
C59 C 0.1073(6) 0.0991(5) 0.9192(4) 0.035(2) Uani 1 1 d . . . . .
C60 C 0.0717(8) 0.1627(6) 0.9144(6) 0.054(3) Uani 1 1 d . . . . .
H60 H 0.072625 0.186688 0.878051 0.065 Uiso 1 1 calc R U . . .
C61 C 0.0346(8) 0.1921(8) 0.9622(6) 0.070(4) Uani 1 1 d . . . . .
H61 H 0.010928 0.235817 0.958835 0.083 Uiso 1 1 calc R U . . .
C62 C 0.0334(9) 0.1543(8) 1.0163(6) 0.071(4) Uani 1 1 d . . . . .
H62 H 0.008044 0.173271 1.048915 0.085 Uiso 1 1 calc R U . . .
C63 C 0.0680(9) 0.0913(9) 1.0222(6) 0.082(5) Uani 1 1 d . . . . .
H63 H 0.066903 0.067201 1.058487 0.099 Uiso 1 1 calc R U . . .
C64 C 0.1046(8) 0.0634(7) 0.9740(5) 0.059(4) Uani 1 1 d . . . . .
H64 H 0.128241 0.019780 0.977684 0.071 Uiso 1 1 calc R U . . .
C65 C 0.2571(6) 0.0872(5) 0.8884(4) 0.034(2) Uani 1 1 d . . . . .
C66 C 0.2698(7) 0.1598(7) 0.8998(5) 0.054(3) Uani 1 1 d . . . . .
H66 H 0.230730 0.191657 0.894198 0.065 Uiso 1 1 calc R U . . .
C67 C 0.3370(9) 0.1844(7) 0.9186(6) 0.066(4) Uani 1 1 d . . . . .
H67 H 0.344615 0.232657 0.924000 0.079 Uiso 1 1 calc R U . . .
C68 C 0.3954(8) 0.1356(8) 0.9298(6) 0.063(4) Uani 1 1 d . . . . .
H68 H 0.441052 0.151445 0.944831 0.075 Uiso 1 1 calc R U . . .
C69 C 0.3848(7) 0.0653(8) 0.9186(5) 0.058(4) Uani 1 1 d . . . . .
H69 H 0.423984 0.033586 0.924518 0.070 Uiso 1 1 calc R U . . .
C70 C 0.3157(6) 0.0409(7) 0.8984(5) 0.045(3) Uani 1 1 d . . . . .
H70 H 0.308938 -0.007263 0.891534 0.054 Uiso 1 1 calc R U . . .
C71 C 0.1577(6) -0.0321(5) 0.8630(4) 0.034(2) Uani 1 1 d . . . . .
H71A H 0.117691 -0.042704 0.891057 0.041 Uiso 1 1 calc R U . . .
H71B H 0.203845 -0.049300 0.880751 0.041 Uiso 1 1 calc R U . . .
C72 C 0.191(2) 0.739(2) 0.6032(16) 0.31(3) Uani 1 1 d . . . . .
H72 H 0.191760 0.717435 0.642992 0.367 Uiso 1 1 calc R U . . .
C73 C 0.5966(9) 0.0664(9) 0.5223(6) 0.082(5) Uani 1 1 d . . . . .
H73 H 0.551105 0.092881 0.512233 0.098 Uiso 1 1 calc R U . . .
C74 C 0.6516(9) 0.9898(9) 0.8465(7) 0.096(5) Uani 1 1 d . . . . .
H74 H 0.605368 0.966707 0.860003 0.115 Uiso 1 1 calc R U . . .
Cl1 Cl 0.0655(2) 0.85712(19) 0.98786(15) 0.0649(9) Uani 1 1 d . . . . .
Cl2 Cl 0.5122(2) 0.9089(2) 0.92175(16) 0.0790(11) Uani 1 1 d . . . . .
Cl3 Cl 0.1833(7) 0.6848(5) 0.5503(4) 0.229(4) Uani 1 1 d . . . . .
Cl4 Cl 0.2787(7) 0.7978(11) 0.5854(5) 0.370(11) Uani 1 1 d . . . . .
Cl5 Cl 0.1299(7) 0.8144(5) 0.5964(3) 0.230(4) Uani 1 1 d . . . . .
Cl6 Cl 0.6745(3) 0.1206(3) 0.5115(2) 0.1286(19) Uani 1 1 d . . . . .
Cl7 Cl 0.6055(3) -0.0066(3) 0.4731(2) 0.1026(15) Uani 1 1 d . . . . .
Cl8 Cl 0.5900(3) 0.0365(4) 0.59432(19) 0.127(2) Uani 1 1 d . . . . .
Cl9 Cl 0.6538(6) 0.9981(7) 0.7747(3) 0.269(6) Uani 1 1 d . . . . .
Cl10 Cl 0.7216(5) 0.9574(11) 0.8768(8) 0.439(14) Uani 1 1 d . . . . .
Cl11 Cl 0.6591(13) 1.0713(7) 0.8734(5) 0.460(15) Uani 1 1 d . . . . .
N1 N 0.1979(5) 0.0108(4) 0.6277(4) 0.035(2) Uani 1 1 d . . . . .
N2 N 0.0598(5) -0.0163(4) 0.6604(3) 0.033(2) Uani 1 1 d . . . . .
N3 N 0.1155(6) 0.1633(4) 0.6896(4) 0.041(2) Uani 1 1 d . . . . .
N4 N 0.2508(5) 0.1495(4) 0.7337(4) 0.0345(19) Uani 1 1 d . . . . .
O1 O 0.3475(7) 0.8626(6) 0.9029(4) 0.105(4) Uani 1 1 d . . . . .
H1B H 0.339345 0.854826 0.866033 0.158 Uiso 1 1 d R U . . .
H1A H 0.386655 0.887725 0.906683 0.158 Uiso 1 1 d R U . . .
O2 O 0.1402(11) 0.7046(8) 0.0154(6) 0.183(8) Uani 1 1 d . . . . .
H2A H 0.136501 0.662685 0.001868 0.274 Uiso 1 1 d R U . . .
H2B H 0.101731 0.728265 0.005368 0.274 Uiso 1 1 d R U . . .
P1 P 0.14014(15) -0.08520(12) 0.79401(11) 0.0298(5) Uani 1 1 d . . . . .
P2 P 0.16503(17) 0.06510(13) 0.85781(11) 0.0327(6) Uani 1 1 d . . . . .
Pt1 Pt 0.16678(2) -0.03111(2) 0.70686(2) 0.03183(11) Uani 1 1 d . . . . .
Pt2 Pt 0.14288(2) 0.11474(2) 0.76761(2) 0.03458(11) 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
C1 C3 1.403(15) . ?
C1 C7 1.406(15) . ?
C1 Pt1 2.024(10) . ?
C2 C25 1.388(15) . ?
C2 C29 1.438(14) . ?
C2 Pt2 2.024(11) . ?
C3 C4 1.403(15) . ?
C3 H3 0.9300 . ?
C4 C5 1.367(16) . ?
C4 H4 0.9300 . ?
C5 C6 1.382(16) . ?
C5 H5 0.9300 . ?
C6 C7 1.388(15) . ?
C6 H6 0.9300 . ?
C7 C8 1.489(15) . ?
C8 N1 1.342(13) . ?
C8 C9 1.372(15) . ?
C9 C10 1.336(17) . ?
C9 H9 0.9300 . ?
C10 C11 1.413(18) . ?
C10 H10 0.9300 . ?
C11 C12 1.361(14) . ?
C11 H11 0.9300 . ?
C12 N1 1.342(13) . ?
C12 C13 1.474(16) . ?
C13 N2 1.357(12) . ?
C13 C14 1.393(15) . ?
C14 C15 1.358(16) . ?
C14 H14 0.9300 . ?
C15 C16 1.402(14) . ?
C15 C18 1.529(16) . ?
C16 C17 1.377(14) . ?
C16 C21 1.489(15) . ?
C17 N2 1.352(12) . ?
C17 H17 0.9300 . ?
C18 C19 1.500(18) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.501(18) . ?
C19 C22 1.562(17) . ?
C19 H19 0.9800 . ?
C20 C21 1.553(15) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.527(16) . ?
C21 H21 0.9800 . ?
C22 C23 1.536(19) . ?
C22 C24 1.544(18) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.386(17) . ?
C25 H25 0.9300 . ?
C26 C27 1.399(17) . ?
C26 H26 0.9300 . ?
C27 C28 1.366(17) . ?
C27 H27 0.9300 . ?
C28 C29 1.379(16) . ?
C28 H28 0.9300 . ?
C29 C30 1.463(16) . ?
C30 N3 1.322(14) . ?
C30 C31 1.421(16) . ?
C31 C32 1.40(2) . ?
C31 H31 0.9300 . ?
C32 C33 1.36(2) . ?
C32 H32 0.9300 . ?
C33 C34 1.357(15) . ?
C33 H33 0.9300 . ?
C34 N3 1.351(14) . ?
C34 C35 1.509(17) . ?
C35 N4 1.327(12) . ?
C35 C36 1.382(16) . ?
C36 C37 1.370(18) . ?
C36 H36 0.9300 . ?
C37 C38 1.396(16) . ?
C37 C40 1.518(18) . ?
C38 C39 1.373(15) . ?
C38 C43 1.493(17) . ?
C39 N4 1.354(13) . ?
C39 H39 0.9300 . ?
C40 C41 1.52(2) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.558(19) . ?
C41 C44 1.565(19) . ?
C41 H41 0.9800 . ?
C42 C43 1.545(16) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.575(17) . ?
C43 H43 0.9800 . ?
C44 C45 1.52(2) . ?
C44 C46 1.532(18) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 C52 1.359(14) . ?
C47 C48 1.405(14) . ?
C47 P1 1.820(10) . ?
C48 C49 1.396(16) . ?
C48 H48 0.9300 . ?
C49 C50 1.366(19) . ?
C49 H49 0.9300 . ?
C50 C51 1.398(18) . ?
C50 H50 0.9300 . ?
C51 C52 1.359(16) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
C53 C58 1.383(14) . ?
C53 C54 1.410(17) . ?
C53 H53 0.9300 . ?
C54 C55 1.371(18) . ?
C54 H54 0.9300 . ?
C55 C56 1.377(18) . ?
C55 H55 0.9300 . ?
C56 C57 1.380(16) . ?
C56 H56 0.9300 . ?
C57 C58 1.388(14) . ?
C57 H57 0.9300 . ?
C58 P1 1.816(10) . ?
C59 C60 1.362(15) . ?
C59 C64 1.399(14) . ?
C59 P2 1.833(10) . ?
C60 C61 1.375(17) . ?
C60 H60 0.9300 . ?
C61 C62 1.405(19) . ?
C61 H61 0.9300 . ?
C62 C63 1.35(2) . ?
C62 H62 0.9300 . ?
C63 C64 1.366(18) . ?
C63 H63 0.9300 . ?
C64 H64 0.9300 . ?
C65 C70 1.382(14) . ?
C65 C66 1.413(16) . ?
C65 P2 1.827(11) . ?
C66 C67 1.352(18) . ?
C66 H66 0.9300 . ?
C67 C68 1.414(19) . ?
C67 H67 0.9300 . ?
C68 C69 1.364(18) . ?
C68 H68 0.9300 . ?
C69 C70 1.392(16) . ?
C69 H69 0.9300 . ?
C70 H70 0.9300 . ?
C71 P2 1.844(10) . ?
C71 P1 1.867(9) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C72 Cl3 1.57(2) . ?
C72 Cl5 1.80(3) . ?
C72 Cl4 1.96(5) . ?
C72 H72 0.9800 . ?
C73 Cl8 1.709(16) . ?
C73 Cl6 1.743(18) . ?
C73 Cl7 1.772(15) . ?
C73 H73 0.9800 . ?
C74 Cl10 1.55(2) . ?
C74 Cl9 1.614(17) . ?
C74 Cl11 1.659(19) . ?
C74 H74 0.9800 . ?
N1 Pt1 2.017(8) . ?
N2 Pt1 2.190(8) . ?
N3 Pt2 2.029(8) . ?
N4 Pt2 2.171(8) . ?
O1 H1B 0.8499 . ?
O1 H1A 0.8491 . ?
O2 H2A 0.8499 . ?
O2 H2B 0.8492 . ?
P1 Pt1 2.251(2) . ?
P2 Pt2 2.259(2) . ?
Pt1 Pt2 3.1010(5) . ?

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
C3 C1 C7 116.1(10) . . ?
C3 C1 Pt1 130.9(8) . . ?
C7 C1 Pt1 112.9(8) . . ?
C25 C2 C29 117.4(10) . . ?
C25 C2 Pt2 131.0(8) . . ?
C29 C2 Pt2 111.6(8) . . ?
C4 C3 C1 121.7(11) . . ?
C4 C3 H3 119.2 . . ?
C1 C3 H3 119.2 . . ?
C5 C4 C3 119.6(12) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 121.1(11) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C7 119.0(11) . . ?
C5 C6 H6 120.5 . . ?
C7 C6 H6 120.5 . . ?
C6 C7 C1 122.6(11) . . ?
C6 C7 C8 121.3(11) . . ?
C1 C7 C8 116.1(10) . . ?
N1 C8 C9 119.6(11) . . ?
N1 C8 C7 112.1(9) . . ?
C9 C8 C7 128.3(11) . . ?
C10 C9 C8 119.3(12) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C9 C10 C11 121.5(11) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C12 C11 C10 117.1(12) . . ?
C12 C11 H11 121.5 . . ?
C10 C11 H11 121.5 . . ?
N1 C12 C11 120.5(12) . . ?
N1 C12 C13 114.4(8) . . ?
C11 C12 C13 125.0(11) . . ?
N2 C13 C14 121.6(10) . . ?
N2 C13 C12 115.8(9) . . ?
C14 C13 C12 122.6(10) . . ?
C15 C14 C13 120.2(10) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 119.1(10) . . ?
C14 C15 C18 122.8(10) . . ?
C16 C15 C18 118.1(11) . . ?
C17 C16 C15 117.7(10) . . ?
C17 C16 C21 125.2(9) . . ?
C15 C16 C21 117.1(10) . . ?
N2 C17 C16 123.9(9) . . ?
N2 C17 H17 118.0 . . ?
C16 C17 H17 118.0 . . ?
C19 C18 C15 109.0(9) . . ?
C19 C18 H18A 109.9 . . ?
C15 C18 H18A 109.9 . . ?
C19 C18 H18B 109.9 . . ?
C15 C18 H18B 109.9 . . ?
H18A C18 H18B 108.3 . . ?
C20 C19 C18 110.7(11) . . ?
C20 C19 C22 86.9(9) . . ?
C18 C19 C22 112.4(11) . . ?
C20 C19 H19 114.6 . . ?
C18 C19 H19 114.6 . . ?
C22 C19 H19 114.6 . . ?
C19 C20 C21 87.1(9) . . ?
C19 C20 H20A 114.1 . . ?
C21 C20 H20A 114.1 . . ?
C19 C20 H20B 114.1 . . ?
C21 C20 H20B 114.1 . . ?
H20A C20 H20B 111.3 . . ?
C16 C21 C22 108.2(10) . . ?
C16 C21 C20 107.3(9) . . ?
C22 C21 C20 86.3(8) . . ?
C16 C21 H21 116.9 . . ?
C22 C21 H21 116.9 . . ?
C20 C21 H21 116.9 . . ?
C21 C22 C23 112.3(12) . . ?
C21 C22 C24 121.2(11) . . ?
C23 C22 C24 107.5(12) . . ?
C21 C22 C19 85.9(8) . . ?
C23 C22 C19 109.6(11) . . ?
C24 C22 C19 118.9(11) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C2 121.1(11) . . ?
C26 C25 H25 119.5 . . ?
C2 C25 H25 119.5 . . ?
C25 C26 C27 120.4(12) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C28 C27 C26 119.8(12) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C29 120.8(11) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 H28 119.6 . . ?
C28 C29 C2 120.5(10) . . ?
C28 C29 C30 123.3(10) . . ?
C2 C29 C30 116.2(10) . . ?
N3 C30 C31 118.6(12) . . ?
N3 C30 C29 113.8(9) . . ?
C31 C30 C29 127.6(11) . . ?
C32 C31 C30 118.8(13) . . ?
C32 C31 H31 120.6 . . ?
C30 C31 H31 120.6 . . ?
C33 C32 C31 118.9(11) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C34 C33 C32 120.8(14) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
N3 C34 C33 120.1(13) . . ?
N3 C34 C35 112.5(9) . . ?
C33 C34 C35 127.3(13) . . ?
N4 C35 C36 123.4(12) . . ?
N4 C35 C34 116.4(10) . . ?
C36 C35 C34 120.1(10) . . ?
C37 C36 C35 119.3(11) . . ?
C37 C36 H36 120.3 . . ?
C35 C36 H36 120.3 . . ?
C36 C37 C38 118.7(11) . . ?
C36 C37 C40 124.4(12) . . ?
C38 C37 C40 116.9(13) . . ?
C39 C38 C37 118.0(12) . . ?
C39 C38 C43 124.4(10) . . ?
C37 C38 C43 117.5(11) . . ?
N4 C39 C38 123.8(10) . . ?
N4 C39 H39 118.1 . . ?
C38 C39 H39 118.1 . . ?
C41 C40 C37 111.5(12) . . ?
C41 C40 H40A 109.3 . . ?
C37 C40 H40A 109.3 . . ?
C41 C40 H40B 109.3 . . ?
C37 C40 H40B 109.3 . . ?
H40A C40 H40B 108.0 . . ?
C40 C41 C42 108.8(13) . . ?
C40 C41 C44 112.1(12) . . ?
C42 C41 C44 87.1(10) . . ?
C40 C41 H41 115.2 . . ?
C42 C41 H41 115.2 . . ?
C44 C41 H41 115.2 . . ?
C43 C42 C41 86.0(9) . . ?
C43 C42 H42A 114.3 . . ?
C41 C42 H42A 114.3 . . ?
C43 C42 H42B 114.3 . . ?
C41 C42 H42B 114.3 . . ?
H42A C42 H42B 111.5 . . ?
C38 C43 C42 109.3(11) . . ?
C38 C43 C44 108.6(10) . . ?
C42 C43 C44 87.2(9) . . ?
C38 C43 H43 116.1 . . ?
C42 C43 H43 116.1 . . ?
C44 C43 H43 116.1 . . ?
C45 C44 C46 111.5(13) . . ?
C45 C44 C41 112.2(12) . . ?
C46 C44 C41 117.2(14) . . ?
C45 C44 C43 111.1(12) . . ?
C46 C44 C43 117.7(11) . . ?
C41 C44 C43 84.7(10) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C52 C47 C48 117.6(10) . . ?
C52 C47 P1 122.0(8) . . ?
C48 C47 P1 119.9(8) . . ?
C49 C48 C47 119.4(11) . . ?
C49 C48 H48 120.3 . . ?
C47 C48 H48 120.3 . . ?
C50 C49 C48 120.0(12) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C50 C51 121.2(12) . . ?
C49 C50 H50 119.4 . . ?
C51 C50 H50 119.4 . . ?
C52 C51 C50 117.0(12) . . ?
C52 C51 H51 121.5 . . ?
C50 C51 H51 121.5 . . ?
C51 C52 C47 124.6(12) . . ?
C51 C52 H52 117.7 . . ?
C47 C52 H52 117.7 . . ?
C58 C53 C54 118.4(11) . . ?
C58 C53 H53 120.8 . . ?
C54 C53 H53 120.8 . . ?
C55 C54 C53 120.6(12) . . ?
C55 C54 H54 119.7 . . ?
C53 C54 H54 119.7 . . ?
C54 C55 C56 120.4(12) . . ?
C54 C55 H55 119.8 . . ?
C56 C55 H55 119.8 . . ?
C55 C56 C57 119.7(12) . . ?
C55 C56 H56 120.1 . . ?
C57 C56 H56 120.1 . . ?
C56 C57 C58 120.5(11) . . ?
C56 C57 H57 119.7 . . ?
C58 C57 H57 119.7 . . ?
C53 C58 C57 120.1(10) . . ?
C53 C58 P1 124.5(8) . . ?
C57 C58 P1 115.3(8) . . ?
C60 C59 C64 118.6(11) . . ?
C60 C59 P2 120.7(8) . . ?
C64 C59 P2 120.4(9) . . ?
C59 C60 C61 121.2(12) . . ?
C59 C60 H60 119.4 . . ?
C61 C60 H60 119.4 . . ?
C60 C61 C62 118.1(13) . . ?
C60 C61 H61 120.9 . . ?
C62 C61 H61 120.9 . . ?
C63 C62 C61 121.8(13) . . ?
C63 C62 H62 119.1 . . ?
C61 C62 H62 119.1 . . ?
C62 C63 C64 118.8(14) . . ?
C62 C63 H63 120.6 . . ?
C64 C63 H63 120.6 . . ?
C63 C64 C59 121.4(13) . . ?
C63 C64 H64 119.3 . . ?
C59 C64 H64 119.3 . . ?
C70 C65 C66 117.6(11) . . ?
C70 C65 P2 126.6(8) . . ?
C66 C65 P2 115.7(9) . . ?
C67 C66 C65 122.2(13) . . ?
C67 C66 H66 118.9 . . ?
C65 C66 H66 118.9 . . ?
C66 C67 C68 119.0(12) . . ?
C66 C67 H67 120.5 . . ?
C68 C67 H67 120.5 . . ?
C69 C68 C67 120.0(12) . . ?
C69 C68 H68 120.0 . . ?
C67 C68 H68 120.0 . . ?
C68 C69 C70 120.4(13) . . ?
C68 C69 H69 119.8 . . ?
C70 C69 H69 119.8 . . ?
C65 C70 C69 120.9(11) . . ?
C65 C70 H70 119.6 . . ?
C69 C70 H70 119.6 . . ?
P2 C71 P1 119.6(5) . . ?
P2 C71 H71A 107.4 . . ?
P1 C71 H71A 107.4 . . ?
P2 C71 H71B 107.4 . . ?
P1 C71 H71B 107.4 . . ?
H71A C71 H71B 106.9 . . ?
Cl3 C72 Cl5 114(2) . . ?
Cl3 C72 Cl4 107(2) . . ?
Cl5 C72 Cl4 91(2) . . ?
Cl3 C72 H72 114.3 . . ?
Cl5 C72 H72 114.3 . . ?
Cl4 C72 H72 114.3 . . ?
Cl8 C73 Cl6 112.3(9) . . ?
Cl8 C73 Cl7 109.5(9) . . ?
Cl6 C73 Cl7 107.4(8) . . ?
Cl8 C73 H73 109.2 . . ?
Cl6 C73 H73 109.2 . . ?
Cl7 C73 H73 109.2 . . ?
Cl10 C74 Cl9 117.0(13) . . ?
Cl10 C74 Cl11 98.2(14) . . ?
Cl9 C74 Cl11 105.5(12) . . ?
Cl10 C74 H74 111.7 . . ?
Cl9 C74 H74 111.7 . . ?
Cl11 C74 H74 111.7 . . ?
C12 N1 C8 122.0(9) . . ?
C12 N1 Pt1 120.0(7) . . ?
C8 N1 Pt1 117.9(7) . . ?
C17 N2 C13 117.2(9) . . ?
C17 N2 Pt1 130.2(6) . . ?
C13 N2 Pt1 112.6(7) . . ?
C30 N3 C34 122.6(9) . . ?
C30 N3 Pt2 117.3(8) . . ?
C34 N3 Pt2 120.0(8) . . ?
C35 N4 C39 116.7(9) . . ?
C35 N4 Pt2 113.8(8) . . ?
C39 N4 Pt2 129.2(7) . . ?
H1B O1 H1A 109.5 . . ?
H2A O2 H2B 109.5 . . ?
C58 P1 C47 100.6(5) . . ?
C58 P1 C71 107.9(5) . . ?
C47 P1 C71 101.7(5) . . ?
C58 P1 Pt1 112.8(3) . . ?
C47 P1 Pt1 116.3(3) . . ?
C71 P1 Pt1 115.9(3) . . ?
C65 P2 C59 98.3(5) . . ?
C65 P2 C71 105.5(5) . . ?
C59 P2 C71 105.2(4) . . ?
C65 P2 Pt2 113.4(3) . . ?
C59 P2 Pt2 115.1(3) . . ?
C71 P2 Pt2 117.2(3) . . ?
N1 Pt1 C1 80.6(4) . . ?
N1 Pt1 N2 76.9(3) . . ?
C1 Pt1 N2 157.6(4) . . ?
N1 Pt1 P1 174.8(3) . . ?
C1 Pt1 P1 95.8(3) . . ?
N2 Pt1 P1 106.5(2) . . ?
N1 Pt1 Pt2 94.2(2) . . ?
C1 Pt1 Pt2 93.5(3) . . ?
N2 Pt1 Pt2 88.51(19) . . ?
P1 Pt1 Pt2 89.72(6) . . ?
C2 Pt2 N3 81.0(4) . . ?
C2 Pt2 N4 157.9(4) . . ?
N3 Pt2 N4 77.1(4) . . ?
C2 Pt2 P2 95.3(3) . . ?
N3 Pt2 P2 175.3(3) . . ?
N4 Pt2 P2 106.4(2) . . ?
C2 Pt2 Pt1 94.5(3) . . ?
N3 Pt2 Pt1 93.3(2) . . ?
N4 Pt2 Pt1 89.7(2) . . ?
P2 Pt2 Pt1 89.89(7) . . ?

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
C7 C1 C3 C4 0.3(16) . . . . ?
Pt1 C1 C3 C4 -177.2(9) . . . . ?
C1 C3 C4 C5 0.3(18) . . . . ?
C3 C4 C5 C6 -1.0(18) . . . . ?
C4 C5 C6 C7 0.9(18) . . . . ?
C5 C6 C7 C1 -0.2(18) . . . . ?
C5 C6 C7 C8 178.4(10) . . . . ?
C3 C1 C7 C6 -0.4(17) . . . . ?
Pt1 C1 C7 C6 177.6(9) . . . . ?
C3 C1 C7 C8 -179.0(9) . . . . ?
Pt1 C1 C7 C8 -1.0(12) . . . . ?
C6 C7 C8 N1 178.4(11) . . . . ?
C1 C7 C8 N1 -3.0(14) . . . . ?
C6 C7 C8 C9 -1.6(19) . . . . ?
C1 C7 C8 C9 177.1(11) . . . . ?
N1 C8 C9 C10 -1.1(17) . . . . ?
C7 C8 C9 C10 178.9(11) . . . . ?
C8 C9 C10 C11 -0.9(18) . . . . ?
C9 C10 C11 C12 1.9(17) . . . . ?
C10 C11 C12 N1 -0.9(15) . . . . ?
C10 C11 C12 C13 175.5(10) . . . . ?
N1 C12 C13 N2 5.1(13) . . . . ?
C11 C12 C13 N2 -171.5(10) . . . . ?
N1 C12 C13 C14 -173.0(10) . . . . ?
C11 C12 C13 C14 10.3(17) . . . . ?
N2 C13 C14 C15 1.7(17) . . . . ?
C12 C13 C14 C15 179.8(11) . . . . ?
C13 C14 C15 C16 2.9(17) . . . . ?
C13 C14 C15 C18 -176.8(11) . . . . ?
C14 C15 C16 C17 -3.5(17) . . . . ?
C18 C15 C16 C17 176.2(11) . . . . ?
C14 C15 C16 C21 178.0(10) . . . . ?
C18 C15 C16 C21 -2.4(16) . . . . ?
C15 C16 C17 N2 -0.6(16) . . . . ?
C21 C16 C17 N2 177.9(10) . . . . ?
C14 C15 C18 C19 -178.9(12) . . . . ?
C16 C15 C18 C19 1.4(16) . . . . ?
C15 C18 C19 C20 48.2(14) . . . . ?
C15 C18 C19 C22 -47.2(15) . . . . ?
C18 C19 C20 C21 -85.4(11) . . . . ?
C22 C19 C20 C21 27.3(9) . . . . ?
C17 C16 C21 C22 -129.6(11) . . . . ?
C15 C16 C21 C22 48.9(13) . . . . ?
C17 C16 C21 C20 138.6(11) . . . . ?
C15 C16 C21 C20 -43.0(13) . . . . ?
C19 C20 C21 C16 79.9(10) . . . . ?
C19 C20 C21 C22 -28.0(9) . . . . ?
C16 C21 C22 C23 170.3(11) . . . . ?
C20 C21 C22 C23 -82.7(12) . . . . ?
C16 C21 C22 C24 41.3(14) . . . . ?
C20 C21 C22 C24 148.4(12) . . . . ?
C16 C21 C22 C19 -80.2(10) . . . . ?
C20 C21 C22 C19 26.9(9) . . . . ?
C20 C19 C22 C21 -27.9(9) . . . . ?
C18 C19 C22 C21 83.3(12) . . . . ?
C20 C19 C22 C23 84.3(12) . . . . ?
C18 C19 C22 C23 -164.5(12) . . . . ?
C20 C19 C22 C24 -151.5(12) . . . . ?
C18 C19 C22 C24 -40.3(16) . . . . ?
C29 C2 C25 C26 -0.7(16) . . . . ?
Pt2 C2 C25 C26 179.8(9) . . . . ?
C2 C25 C26 C27 -2.1(19) . . . . ?
C25 C26 C27 C28 2.4(19) . . . . ?
C26 C27 C28 C29 0.2(18) . . . . ?
C27 C28 C29 C2 -3.1(17) . . . . ?
C27 C28 C29 C30 177.7(10) . . . . ?
C25 C2 C29 C28 3.3(15) . . . . ?
Pt2 C2 C29 C28 -177.1(8) . . . . ?
C25 C2 C29 C30 -177.4(9) . . . . ?
Pt2 C2 C29 C30 2.2(11) . . . . ?
C28 C29 C30 N3 176.1(10) . . . . ?
C2 C29 C30 N3 -3.2(13) . . . . ?
C28 C29 C30 C31 -2.8(18) . . . . ?
C2 C29 C30 C31 177.9(10) . . . . ?
N3 C30 C31 C32 -1.3(17) . . . . ?
C29 C30 C31 C32 177.5(11) . . . . ?
C30 C31 C32 C33 0.4(19) . . . . ?
C31 C32 C33 C34 0(2) . . . . ?
C32 C33 C34 N3 0.1(18) . . . . ?
C32 C33 C34 C35 -176.2(12) . . . . ?
N3 C34 C35 N4 5.6(14) . . . . ?
C33 C34 C35 N4 -177.9(11) . . . . ?
N3 C34 C35 C36 -170.7(10) . . . . ?
C33 C34 C35 C36 5.8(18) . . . . ?
N4 C35 C36 C37 0.4(19) . . . . ?
C34 C35 C36 C37 176.5(11) . . . . ?
C35 C36 C37 C38 1.6(19) . . . . ?
C35 C36 C37 C40 -175.9(12) . . . . ?
C36 C37 C38 C39 -0.6(17) . . . . ?
C40 C37 C38 C39 177.1(12) . . . . ?
C36 C37 C38 C43 179.9(12) . . . . ?
C40 C37 C38 C43 -2.4(17) . . . . ?
C37 C38 C39 N4 -2.7(16) . . . . ?
C43 C38 C39 N4 176.9(10) . . . . ?
C36 C37 C40 C41 177.4(13) . . . . ?
C38 C37 C40 C41 -0.2(18) . . . . ?
C37 C40 C41 C42 48.7(16) . . . . ?
C37 C40 C41 C44 -45.9(17) . . . . ?
C40 C41 C42 C43 -83.4(12) . . . . ?
C44 C41 C42 C43 29.0(10) . . . . ?
C39 C38 C43 C42 136.8(11) . . . . ?
C37 C38 C43 C42 -43.7(14) . . . . ?
C39 C38 C43 C44 -129.6(12) . . . . ?
C37 C38 C43 C44 49.9(14) . . . . ?
C41 C42 C43 C38 79.9(12) . . . . ?
C41 C42 C43 C44 -28.8(11) . . . . ?
C40 C41 C44 C45 -168.8(12) . . . . ?
C42 C41 C44 C45 82.1(13) . . . . ?
C40 C41 C44 C46 -37.9(17) . . . . ?
C42 C41 C44 C46 -147.0(12) . . . . ?
C40 C41 C44 C43 80.6(12) . . . . ?
C42 C41 C44 C43 -28.5(10) . . . . ?
C38 C43 C44 C45 167.5(11) . . . . ?
C42 C43 C44 C45 -83.1(12) . . . . ?
C38 C43 C44 C46 37.3(17) . . . . ?
C42 C43 C44 C46 146.7(15) . . . . ?
C38 C43 C44 C41 -80.7(11) . . . . ?
C42 C43 C44 C41 28.7(10) . . . . ?
C52 C47 C48 C49 -4.7(16) . . . . ?
P1 C47 C48 C49 -176.9(9) . . . . ?
C47 C48 C49 C50 1.4(18) . . . . ?
C48 C49 C50 C51 1(2) . . . . ?
C49 C50 C51 C52 -0.2(19) . . . . ?
C50 C51 C52 C47 -3.5(18) . . . . ?
C48 C47 C52 C51 6.0(17) . . . . ?
P1 C47 C52 C51 178.0(9) . . . . ?
C58 C53 C54 C55 3.3(17) . . . . ?
C53 C54 C55 C56 0.5(19) . . . . ?
C54 C55 C56 C57 -2.1(18) . . . . ?
C55 C56 C57 C58 -0.2(16) . . . . ?
C54 C53 C58 C57 -5.6(15) . . . . ?
C54 C53 C58 P1 171.8(8) . . . . ?
C56 C57 C58 C53 4.1(15) . . . . ?
C56 C57 C58 P1 -173.5(8) . . . . ?
C64 C59 C60 C61 0.7(19) . . . . ?
P2 C59 C60 C61 -173.3(11) . . . . ?
C59 C60 C61 C62 -1(2) . . . . ?
C60 C61 C62 C63 1(2) . . . . ?
C61 C62 C63 C64 -1(2) . . . . ?
C62 C63 C64 C59 0(2) . . . . ?
C60 C59 C64 C63 -1(2) . . . . ?
P2 C59 C64 C63 173.5(12) . . . . ?
C70 C65 C66 C67 1.4(18) . . . . ?
P2 C65 C66 C67 -175.4(10) . . . . ?
C65 C66 C67 C68 -3(2) . . . . ?
C66 C67 C68 C69 4(2) . . . . ?
C67 C68 C69 C70 -3(2) . . . . ?
C66 C65 C70 C69 -0.4(16) . . . . ?
P2 C65 C70 C69 176.0(9) . . . . ?
C68 C69 C70 C65 1.0(19) . . . . ?
C11 C12 N1 C8 -1.1(15) . . . . ?
C13 C12 N1 C8 -177.9(10) . . . . ?
C11 C12 N1 Pt1 175.3(8) . . . . ?
C13 C12 N1 Pt1 -1.5(12) . . . . ?
C9 C8 N1 C12 2.2(16) . . . . ?
C7 C8 N1 C12 -177.8(9) . . . . ?
C9 C8 N1 Pt1 -174.3(8) . . . . ?
C7 C8 N1 Pt1 5.7(12) . . . . ?
C16 C17 N2 C13 5.0(15) . . . . ?
C16 C17 N2 Pt1 -172.3(8) . . . . ?
C14 C13 N2 C17 -5.6(15) . . . . ?
C12 C13 N2 C17 176.3(9) . . . . ?
C14 C13 N2 Pt1 172.2(8) . . . . ?
C12 C13 N2 Pt1 -5.9(11) . . . . ?
C31 C30 N3 C34 1.6(16) . . . . ?
C29 C30 N3 C34 -177.4(9) . . . . ?
C31 C30 N3 Pt2 -178.3(8) . . . . ?
C29 C30 N3 Pt2 2.7(12) . . . . ?
C33 C34 N3 C30 -1.0(16) . . . . ?
C35 C34 N3 C30 175.7(9) . . . . ?
C33 C34 N3 Pt2 178.9(8) . . . . ?
C35 C34 N3 Pt2 -4.3(12) . . . . ?
C36 C35 N4 C39 -3.4(15) . . . . ?
C34 C35 N4 C39 -179.6(9) . . . . ?
C36 C35 N4 Pt2 172.0(9) . . . . ?
C34 C35 N4 Pt2 -4.2(11) . . . . ?
C38 C39 N4 C35 4.6(15) . . . . ?
C38 C39 N4 Pt2 -170.0(8) . . . . ?
C53 C58 P1 C47 117.0(9) . . . . ?
C57 C58 P1 C47 -65.5(8) . . . . ?
C53 C58 P1 C71 10.9(10) . . . . ?
C57 C58 P1 C71 -171.6(7) . . . . ?
C53 C58 P1 Pt1 -118.4(8) . . . . ?
C57 C58 P1 Pt1 59.1(7) . . . . ?
C52 C47 P1 C58 -63.2(10) . . . . ?
C48 C47 P1 C58 108.7(9) . . . . ?
C52 C47 P1 C71 47.8(10) . . . . ?
C48 C47 P1 C71 -140.3(9) . . . . ?
C52 C47 P1 Pt1 174.6(8) . . . . ?
C48 C47 P1 Pt1 -13.5(10) . . . . ?
P2 C71 P1 C58 -108.1(6) . . . . ?
P2 C71 P1 C47 146.6(6) . . . . ?
P2 C71 P1 Pt1 19.5(8) . . . . ?
C70 C65 P2 C59 123.7(10) . . . . ?
C66 C65 P2 C59 -59.9(9) . . . . ?
C70 C65 P2 C71 15.3(10) . . . . ?
C66 C65 P2 C71 -168.2(8) . . . . ?
C70 C65 P2 Pt2 -114.3(9) . . . . ?
C66 C65 P2 Pt2 62.2(9) . . . . ?
C60 C59 P2 C65 101.7(10) . . . . ?
C64 C59 P2 C65 -72.3(10) . . . . ?
C60 C59 P2 C71 -149.7(9) . . . . ?
C64 C59 P2 C71 36.4(10) . . . . ?
C60 C59 P2 Pt2 -19.1(10) . . . . ?
C64 C59 P2 Pt2 167.0(8) . . . . ?
P1 C71 P2 C65 -122.5(6) . . . . ?
P1 C71 P2 C59 134.1(6) . . . . ?
P1 C71 P2 Pt2 4.8(8) . . . . ?

_refine_diff_density_max         1.026
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.112

####################################################################### 
# 
# 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_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1830653'
_audit_update_record             
;
2018-03-18 deposited with the CCDC.
2018-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C154 H149 Cl4 N13 O13 P4 Pt4'
_chemical_formula_sum            'C154 H149 Cl4 N13 O13 P4 Pt4'
_chemical_formula_weight         3435.89

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   14.5011(11)
_cell_length_b                   22.6547(17)
_cell_length_c                   23.2331(18)
_cell_angle_alpha                90
_cell_angle_beta                 103.3760(10)
_cell_angle_gamma                90
_cell_volume                     7425.4(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9893
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      27.11

_exptl_crystal_description       block
_exptl_crystal_colour            green-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_F_000             3416
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.290
_exptl_absorpt_coefficient_mu    3.935
_shelx_estimated_absorpt_T_min   0.316
_shelx_estimated_absorpt_T_max   0.395
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6261
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   SADABS,Bruker,2000
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            66584
_diffrn_reflns_av_unetI/netI     0.0821
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         0.901
_diffrn_reflns_theta_max         27.496
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.899
_diffrn_reflns_point_group_measured_fraction_full 0.920
_reflns_number_total             30659
_reflns_number_gt                27710
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.772
_reflns_Friedel_fraction_max     0.804
_reflns_Friedel_fraction_full    0.841

_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.
;

_computing_data_collection       SMART,(Bruker,2000)
_computing_cell_refinement       SMART
_computing_data_reduction        SAINT(Bruker,2000)
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0434P)²+1.6540P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 10548 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.030(4)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         30659
_refine_ls_number_parameters     1695
_refine_ls_number_restraints     271
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0432
_refine_ls_wR_factor_ref         0.1069
_refine_ls_wR_factor_gt          0.1048
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000

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
C1A C 0.7500(8) 0.6541(5) 0.1345(4) 0.023(2) Uani 1 1 d . . . . .
C2A C 0.7842(8) 0.6053(5) 0.1749(4) 0.027(2) Uani 1 1 d . . . . .
C3A C 0.7213(9) 0.5662(5) 0.1900(5) 0.031(2) Uani 1 1 d . . . . .
H3AA H 0.744595 0.534633 0.214685 0.037 Uiso 1 1 calc R U . . .
C4A C 0.6260(8) 0.5724(5) 0.1699(5) 0.029(3) Uani 1 1 d . . . . .
H4AA H 0.584675 0.546197 0.181764 0.035 Uiso 1 1 calc R U . . .
C5A C 0.5918(8) 0.6172(5) 0.1323(5) 0.029(2) Uani 1 1 d . . . . .
H5AA H 0.526689 0.620918 0.117926 0.034 Uiso 1 1 calc R U . . .
C6A C 0.6535(8) 0.6586(5) 0.1145(4) 0.025(2) Uani 1 1 d . . . . .
H6AA H 0.628070 0.689180 0.088990 0.030 Uiso 1 1 calc R U . . .
C7A C 0.8894(9) 0.6002(5) 0.1967(5) 0.028(2) Uani 1 1 d . . . . .
C8A C 0.9399(9) 0.5630(5) 0.2366(4) 0.032(3) Uani 1 1 d . . . . .
H8AA H 0.908868 0.533919 0.253133 0.038 Uiso 1 1 calc R U . . .
C9A C 1.0366(8) 0.5674(6) 0.2535(5) 0.032(3) Uani 1 1 d . . . . .
H9AA H 1.069970 0.541700 0.282087 0.039 Uiso 1 1 calc R U . . .
C10A C 1.0852(8) 0.6085(5) 0.2292(5) 0.026(2) Uani 1 1 d . . . . .
H10A H 1.150922 0.611305 0.240232 0.031 Uiso 1 1 calc R U . . .
C11A C 1.0303(7) 0.6465(4) 0.1864(4) 0.021(2) Uani 1 1 d . . . . .
C12A C 1.0686(7) 0.6917(5) 0.1534(4) 0.024(2) Uani 1 1 d . . . . .
C13A C 1.1649(7) 0.6978(5) 0.1558(4) 0.026(2) Uani 1 1 d . . . . .
H13A H 1.208687 0.673891 0.180923 0.032 Uiso 1 1 calc R U . . .
C14A C 1.1952(7) 0.7395(5) 0.1207(5) 0.024(2) Uani 1 1 d . . . . .
C15A C 1.1259(7) 0.7734(5) 0.0812(5) 0.023(2) Uani 1 1 d . . . . .
C16A C 1.0321(7) 0.7642(5) 0.0809(4) 0.021(2) Uani 1 1 d . . . . .
H16A H 0.986689 0.786463 0.055090 0.026 Uiso 1 1 calc R U . . .
C17A C 1.2987(7) 0.7502(5) 0.1211(5) 0.030(2) Uani 1 1 d . . . . .
H17A H 1.327091 0.713795 0.111570 0.036 Uiso 1 1 calc R U . . .
H17B H 1.332415 0.762474 0.160351 0.036 Uiso 1 1 calc R U . . .
C18A C 1.3081(7) 0.7983(6) 0.0757(5) 0.028(2) Uani 1 1 d . . . . .
H18A H 1.372685 0.807461 0.072351 0.034 Uiso 1 1 calc R U . . .
C19A C 1.2434(8) 0.8533(5) 0.0824(6) 0.033(3) Uani 1 1 d . . . . .
C20A C 1.1613(7) 0.8172(5) 0.0438(5) 0.026(2) Uani 1 1 d . . . . .
H20A H 1.112986 0.839774 0.016045 0.031 Uiso 1 1 calc R U . . .
C21A C 1.2355(8) 0.7841(5) 0.0169(5) 0.029(2) Uani 1 1 d . . . . .
H21A H 1.222729 0.742339 0.010063 0.035 Uiso 1 1 calc R U . . .
H21B H 1.249064 0.803066 -0.017704 0.035 Uiso 1 1 calc R U . . .
C22A C 1.2680(9) 0.9062(6) 0.0464(7) 0.044(3) Uani 1 1 d . . . . .
H22A H 1.272361 0.892887 0.007887 0.065 Uiso 1 1 calc R U . . .
H22B H 1.219314 0.935630 0.042398 0.065 Uiso 1 1 calc R U . . .
H22C H 1.327610 0.922848 0.066599 0.065 Uiso 1 1 calc R U . . .
C23A C 1.2366(9) 0.8735(5) 0.1421(6) 0.037(3) Uani 1 1 d . . . . .
H23A H 1.292718 0.895134 0.160231 0.055 Uiso 1 1 calc R U . . .
H23B H 1.182128 0.898546 0.138573 0.055 Uiso 1 1 calc R U . . .
H23C H 1.230417 0.839911 0.166140 0.055 Uiso 1 1 calc R U . . .
C24A C 0.7008(7) 0.7356(5) -0.0118(4) 0.022(2) Uani 1 1 d . . . . .
H24A H 0.657128 0.706144 -0.003502 0.027 Uiso 1 1 calc R U . . .
H24B H 0.663738 0.766397 -0.035441 0.027 Uiso 1 1 calc R U . . .
C24B C 0.7653(7) 0.7068(5) -0.0478(4) 0.024(2) Uani 1 1 d . . . . .
H24C H 0.830220 0.708127 -0.024786 0.028 Uiso 1 1 calc R U . . .
H24D H 0.762058 0.729802 -0.083468 0.028 Uiso 1 1 calc R U . . .
C25A C 0.8287(6) 0.8318(4) 0.0380(4) 0.018(2) Uani 1 1 d . . . . .
C26A C 0.8369(8) 0.8465(5) -0.0177(5) 0.028(2) Uani 1 1 d . . . . .
H26A H 0.805496 0.823857 -0.049640 0.033 Uiso 1 1 calc R U . . .
C27A C 0.8910(9) 0.8943(5) -0.0278(5) 0.034(3) Uani 1 1 d . . . . .
H27A H 0.896378 0.903186 -0.065948 0.040 Uiso 1 1 calc R U . . .
C28A C 0.9363(8) 0.9283(6) 0.0191(6) 0.037(3) Uani 1 1 d . . . . .
H28A H 0.973625 0.960060 0.013089 0.044 Uiso 1 1 calc R U . . .
C29A C 0.9264(9) 0.9154(5) 0.0741(6) 0.037(3) Uani 1 1 d . . . . .
H29A H 0.955209 0.939756 0.105275 0.044 Uiso 1 1 calc R U . . .
C30A C 0.8751(8) 0.8674(5) 0.0857(6) 0.031(3) Uani 1 1 d . . . . .
H30A H 0.871278 0.858700 0.124231 0.037 Uiso 1 1 calc R U . . .
C31A C 0.6776(7) 0.8050(5) 0.0892(4) 0.023(2) Uani 1 1 d . . . . .
C32A C 0.6126(7) 0.8415(5) 0.0537(5) 0.024(2) Uani 1 1 d . . . . .
H32A H 0.610967 0.844167 0.013515 0.029 Uiso 1 1 calc R U . . .
C33A C 0.5491(8) 0.8745(5) 0.0776(5) 0.031(3) Uani 1 1 d . . . . .
H33A H 0.506258 0.900104 0.053942 0.037 Uiso 1 1 calc R U . . .
C34A C 0.5514(9) 0.8683(6) 0.1378(6) 0.037(3) Uani 1 1 d . . . . .
H34A H 0.508080 0.889033 0.153964 0.044 Uiso 1 1 calc R U . . .
C35A C 0.6143(9) 0.8332(6) 0.1725(5) 0.035(3) Uani 1 1 d . . . . .
H35A H 0.615811 0.830942 0.212642 0.042 Uiso 1 1 calc R U . . .
C36A C 0.6783(8) 0.7997(6) 0.1492(5) 0.034(3) Uani 1 1 d . . . . .
H36A H 0.720727 0.774282 0.173402 0.040 Uiso 1 1 calc R U . . .
C25B C 0.6195(7) 0.6319(5) -0.1199(4) 0.023(2) Uani 1 1 d . . . . .
C26B C 0.5674(8) 0.6822(6) -0.1368(5) 0.032(3) Uani 1 1 d . . . . .
H26B H 0.592640 0.718987 -0.124177 0.038 Uiso 1 1 calc R U . . .
C27B C 0.4745(9) 0.6776(8) -0.1736(6) 0.053(4) Uani 1 1 d . . . . .
H27B H 0.439694 0.711804 -0.185187 0.063 Uiso 1 1 calc R U . . .
C28B C 0.4363(9) 0.6258(9) -0.1920(6) 0.051(4) Uani 1 1 d . . . . .
H28B H 0.374180 0.623726 -0.214136 0.061 Uiso 1 1 calc R U . . .
C29B C 0.4893(9) 0.5744(7) -0.1779(5) 0.047(4) Uani 1 1 d . . . . .
H29B H 0.464103 0.538264 -0.192686 0.056 Uiso 1 1 calc R U . . .
C30B C 0.5800(7) 0.5774(6) -0.1418(5) 0.032(3) Uani 1 1 d . . . . .
H30B H 0.615014 0.542993 -0.132072 0.038 Uiso 1 1 calc R U . . .
C31B C 0.8103(7) 0.6095(5) -0.1181(4) 0.021(2) Uani 1 1 d . . . . .
C32B C 0.8271(8) 0.6488(6) -0.1596(5) 0.031(3) Uani 1 1 d . . . . .
H32B H 0.801435 0.686650 -0.162330 0.038 Uiso 1 1 calc R U . . .
C33B C 0.8848(8) 0.6302(6) -0.1982(5) 0.034(3) Uani 1 1 d . . . . .
H33B H 0.898925 0.656560 -0.225612 0.041 Uiso 1 1 calc R U . . .
C34B C 0.9195(8) 0.5740(6) -0.1955(5) 0.035(3) Uani 1 1 d . . . . .
H34B H 0.956446 0.561913 -0.221107 0.042 Uiso 1 1 calc R U . . .
C35B C 0.8997(9) 0.5363(6) -0.1555(5) 0.037(3) Uani 1 1 d . . . . .
H35B H 0.923509 0.498102 -0.154393 0.045 Uiso 1 1 calc R U . . .
C36B C 0.8453(8) 0.5516(6) -0.1155(5) 0.031(3) Uani 1 1 d . . . . .
H36B H 0.832778 0.524476 -0.088279 0.037 Uiso 1 1 calc R U . . .
C1B C 0.8804(7) 0.5649(5) 0.0327(4) 0.022(2) Uani 1 1 d . . . . .
C2B C 0.9131(8) 0.5212(5) 0.0779(4) 0.025(2) Uani 1 1 d . . . . .
C3B C 1.0087(8) 0.5144(6) 0.1040(5) 0.035(3) Uani 1 1 d . . . . .
H3BA H 1.028126 0.485082 0.132186 0.042 Uiso 1 1 calc R U . . .
C4B C 1.0747(8) 0.5505(6) 0.0883(5) 0.036(3) Uani 1 1 d . . . . .
H4BA H 1.138705 0.545959 0.106068 0.043 Uiso 1 1 calc R U . . .
C5B C 1.0458(8) 0.5937(5) 0.0462(5) 0.028(2) Uani 1 1 d . . . . .
H5BA H 1.090535 0.618788 0.036357 0.034 Uiso 1 1 calc R U . . .
C6B C 0.9540(7) 0.6000(5) 0.0191(5) 0.026(2) Uani 1 1 d . . . . .
H6BA H 0.937661 0.628829 -0.010040 0.031 Uiso 1 1 calc R U . . .
C7B C 0.8393(9) 0.4862(5) 0.0944(5) 0.029(2) Uani 1 1 d . . . . .
C8B C 0.8510(10) 0.4379(5) 0.1340(6) 0.040(3) Uani 1 1 d . U . . .
H8BA H 0.910992 0.423803 0.151892 0.048 Uiso 1 1 calc R U . . .
C9B C 0.7695(11) 0.4119(6) 0.1453(6) 0.044(3) Uani 1 1 d . . . . .
H9BA H 0.775754 0.382213 0.173561 0.053 Uiso 1 1 calc R U . . .
C10B C 0.6824(10) 0.4290(6) 0.1163(5) 0.038(3) Uani 1 1 d . . . . .
H10B H 0.629050 0.409842 0.122933 0.045 Uiso 1 1 calc R U . . .
C11B C 0.6724(9) 0.4760(5) 0.0759(5) 0.029(2) Uani 1 1 d . . . . .
C12B C 0.5846(8) 0.5037(5) 0.0433(5) 0.024(2) Uani 1 1 d . . . . .
C13B C 0.4956(10) 0.4859(6) 0.0495(5) 0.039(3) Uani 1 1 d . . . . .
H13B H 0.490961 0.453305 0.072911 0.046 Uiso 1 1 calc R U . . .
C14B C 0.4145(9) 0.5152(6) 0.0220(6) 0.036(3) Uani 1 1 d . . . . .
C15B C 0.4273(7) 0.5650(5) -0.0122(5) 0.029(2) Uani 1 1 d . . . . .
C16B C 0.5166(7) 0.5806(5) -0.0184(5) 0.023(2) Uani 1 1 d . . . . .
H16B H 0.522950 0.613653 -0.040881 0.027 Uiso 1 1 calc R U . . .
C17B C 0.3147(9) 0.4996(7) 0.0246(6) 0.045(3) Uani 1 1 d . U . . .
H17C H 0.309812 0.498812 0.065496 0.054 Uiso 1 1 calc R U . . .
H17D H 0.299426 0.460514 0.008043 0.054 Uiso 1 1 calc R U . . .
C18B C 0.2433(10) 0.5446(6) -0.0102(7) 0.041(3) Uani 1 1 d . U . . .
H18B H 0.177122 0.537619 -0.009002 0.050 Uiso 1 1 calc R U . . .
C19B C 0.2607(8) 0.5533(5) -0.0727(7) 0.041(3) Uani 1 1 d . . . . .
C20B C 0.3396(8) 0.5983(5) -0.0408(6) 0.035(3) Uani 1 1 d . . . . .
H20B H 0.348338 0.633743 -0.063202 0.042 Uiso 1 1 calc R U . . .
C21B C 0.2793(10) 0.6060(6) 0.0076(7) 0.046(4) Uani 1 1 d . . . . .
H21C H 0.316871 0.609150 0.047828 0.055 Uiso 1 1 calc R U . . .
H21D H 0.231280 0.636535 -0.001312 0.055 Uiso 1 1 calc R U . . .
C22B C 0.1791(9) 0.5847(8) -0.1134(7) 0.059(5) Uani 1 1 d . . . . .
H22D H 0.157799 0.616522 -0.092494 0.089 Uiso 1 1 calc R U . . .
H22E H 0.199555 0.600047 -0.146897 0.089 Uiso 1 1 calc R U . . .
H22F H 0.128001 0.557340 -0.126718 0.089 Uiso 1 1 calc R U . . .
C23B C 0.2923(8) 0.5039(6) -0.1067(6) 0.039(3) Uani 1 1 d . . . . .
H23D H 0.344240 0.483341 -0.081606 0.058 Uiso 1 1 calc R U . . .
H23E H 0.240571 0.476986 -0.120066 0.058 Uiso 1 1 calc R U . . .
H23F H 0.312125 0.519693 -0.140245 0.058 Uiso 1 1 calc R U . . .
C24C C 0.8480(7) 0.8114(5) 0.5579(4) 0.026(2) Uani 1 1 d . . . . .
H24E H 0.890216 0.782412 0.547099 0.031 Uiso 1 1 calc R U . . .
H24F H 0.885716 0.837752 0.586943 0.031 Uiso 1 1 calc R U . . .
C24D C 0.7744(8) 0.7796(6) 0.5856(5) 0.032(3) Uani 1 1 d . . . . .
H24G H 0.711184 0.790041 0.563587 0.038 Uiso 1 1 calc R U . . .
H24H H 0.781282 0.793392 0.625916 0.038 Uiso 1 1 calc R U . . .
C25C C 0.7262(7) 0.9126(5) 0.5189(5) 0.024(2) Uani 1 1 d . U . . .
C26C C 0.7315(9) 0.9237(5) 0.5784(6) 0.034(3) Uani 1 1 d . . . . .
H26C H 0.773916 0.902596 0.607274 0.041 Uiso 1 1 calc R U . . .
C27C C 0.6733(12) 0.9664(7) 0.5951(8) 0.055(4) Uani 1 1 d . . . . .
H27C H 0.674204 0.972341 0.634799 0.066 Uiso 1 1 calc R U . . .
C28C C 0.6143(10) 0.9998(7) 0.5520(10) 0.065(5) Uani 1 1 d . . . . .
H28C H 0.577798 1.029543 0.562988 0.078 Uiso 1 1 calc R U . . .
C29C C 0.6091(9) 0.9897(6) 0.4941(9) 0.053(4) Uani 1 1 d . . . . .
H29C H 0.568356 1.012200 0.465676 0.063 Uiso 1 1 calc R U . . .
C30C C 0.6642(7) 0.9458(5) 0.4762(6) 0.032(3) Uani 1 1 d . . . . .
H30C H 0.659527 0.938738 0.436159 0.039 Uiso 1 1 calc R U . . .
C31C C 0.8857(7) 0.8948(5) 0.4725(5) 0.021(2) Uani 1 1 d . . . . .
C32C C 0.9596(8) 0.9203(5) 0.5161(5) 0.031(3) Uani 1 1 d . . . . .
H32C H 0.961798 0.914546 0.555993 0.038 Uiso 1 1 calc R U . . .
C33C C 1.0291(8) 0.9541(5) 0.4989(5) 0.030(3) Uani 1 1 d . . . . .
H33C H 1.076319 0.971659 0.527805 0.036 Uiso 1 1 calc R U . . .
C34C C 1.0293(9) 0.9618(5) 0.4406(6) 0.035(3) Uani 1 1 d . . . . .
H34C H 1.077747 0.983032 0.430056 0.042 Uiso 1 1 calc R U . . .
C35C C 0.9572(8) 0.9380(6) 0.3977(5) 0.032(3) Uani 1 1 d . . . . .
H35C H 0.956466 0.944182 0.358007 0.038 Uiso 1 1 calc R U . . .
C36C C 0.8866(8) 0.9052(5) 0.4125(5) 0.031(3) Uani 1 1 d . . . . .
H36C H 0.838595 0.889680 0.382750 0.038 Uiso 1 1 calc R U . . .
C25D C 0.9002(8) 0.6814(5) 0.6368(5) 0.028(2) Uani 1 1 d . . . . .
C26D C 0.9610(7) 0.7262(5) 0.6667(5) 0.026(2) Uani 1 1 d . . . . .
H26D H 0.942834 0.765620 0.662439 0.031 Uiso 1 1 calc R U . . .
C27D C 1.0484(9) 0.7103(7) 0.7025(6) 0.043(3) Uani 1 1 d . . . . .
H27D H 1.089175 0.739217 0.722297 0.051 Uiso 1 1 calc R U . . .
C28D C 1.0749(9) 0.6510(8) 0.7086(6) 0.049(4) Uani 1 1 d . . . . .
H28D H 1.134106 0.640657 0.731591 0.059 Uiso 1 1 calc R U . . .
C29D C 1.0133(9) 0.6071(6) 0.6805(6) 0.040(3) Uani 1 1 d . . . . .
H29D H 1.029703 0.567423 0.685931 0.048 Uiso 1 1 calc R U . . .
C30D C 0.9277(8) 0.6235(6) 0.6447(5) 0.032(3) Uani 1 1 d . . . . .
H30D H 0.887219 0.594312 0.625084 0.038 Uiso 1 1 calc R U . . .
C31D C 0.7060(7) 0.6706(5) 0.6298(4) 0.026(2) Uani 1 1 d . . . . .
C32D C 0.6992(8) 0.6982(6) 0.6830(5) 0.034(3) Uani 1 1 d . . . . .
H32D H 0.734177 0.732075 0.695691 0.041 Uiso 1 1 calc R U . . .
C33D C 0.6401(10) 0.6746(9) 0.7165(5) 0.062(5) Uani 1 1 d . . . . .
H33D H 0.634695 0.693267 0.751192 0.074 Uiso 1 1 calc R U . . .
C34D C 0.5899(10) 0.6241(8) 0.6986(6) 0.049(4) Uani 1 1 d . . . . .
H34D H 0.551001 0.608287 0.721379 0.059 Uiso 1 1 calc R U . . .
C35D C 0.5971(9) 0.5966(7) 0.6467(7) 0.050(4) Uani 1 1 d . . . . .
H35D H 0.562335 0.562494 0.634396 0.060 Uiso 1 1 calc R U . . .
C36D C 0.6554(9) 0.6193(6) 0.6130(6) 0.039(3) Uani 1 1 d . . . . .
H36D H 0.660838 0.599857 0.578665 0.046 Uiso 1 1 calc R U . . .
C1C C 0.8131(7) 0.7639(5) 0.3907(5) 0.022(2) Uani 1 1 d . . . . .
C2C C 0.7794(7) 0.7307(4) 0.3373(4) 0.020(2) Uani 1 1 d . . . . .
C3C C 0.8428(8) 0.7015(6) 0.3089(5) 0.029(2) Uani 1 1 d . . . . .
H3CA H 0.820254 0.680535 0.274034 0.035 Uiso 1 1 calc R U . . .
C4C C 0.9396(8) 0.7049(6) 0.3340(5) 0.034(3) Uani 1 1 d . . . . .
H4CA H 0.982292 0.685499 0.316253 0.041 Uiso 1 1 calc R U . . .
C5C C 0.9722(8) 0.7367(5) 0.3851(5) 0.030(3) Uani 1 1 d . . . . .
H5CA H 1.037039 0.739741 0.401147 0.036 Uiso 1 1 calc R U . . .
C6C C 0.9089(7) 0.7641(5) 0.4125(5) 0.025(2) Uani 1 1 d . . . . .
H6CA H 0.932872 0.783872 0.447940 0.031 Uiso 1 1 calc R U . . .
C7C C 0.6753(8) 0.7275(5) 0.3125(4) 0.026(2) Uani 1 1 d . . . . .
C8C C 0.6261(8) 0.7016(5) 0.2626(4) 0.027(2) Uani 1 1 d . . . . .
H8CA H 0.658372 0.683377 0.237234 0.033 Uiso 1 1 calc R U . . .
C9C C 0.5282(8) 0.7018(6) 0.2489(4) 0.033(3) Uani 1 1 d . . . . .
H9CA H 0.494702 0.679714 0.217101 0.040 Uiso 1 1 calc R U . . .
C10C C 0.4799(8) 0.7352(5) 0.2828(4) 0.025(2) Uani 1 1 d . . . . .
H10C H 0.414285 0.738849 0.271941 0.030 Uiso 1 1 calc R U . . .
C11C C 0.5331(7) 0.7633(4) 0.3340(4) 0.019(2) Uani 1 1 d . U . . .
C12C C 0.4940(7) 0.7958(5) 0.3773(4) 0.022(2) Uani 1 1 d . . . . .
C13C C 0.3988(7) 0.8048(5) 0.3714(5) 0.024(2) Uani 1 1 d . . . . .
H13C H 0.355432 0.791585 0.337926 0.028 Uiso 1 1 calc R U . . .
C14C C 0.3676(7) 0.8345(5) 0.4168(4) 0.021(2) Uani 1 1 d . . . . .
C15C C 0.4339(7) 0.8517(5) 0.4659(4) 0.021(2) Uani 1 1 d . . . . .
C16C C 0.5289(7) 0.8411(5) 0.4689(4) 0.020(2) Uani 1 1 d . . . . .
H16C H 0.572778 0.851724 0.503216 0.024 Uiso 1 1 calc R U . . .
C17C C 0.2636(7) 0.8466(6) 0.4129(5) 0.028(2) Uani 1 1 d . . . . .
H17E H 0.228309 0.809863 0.407257 0.033 Uiso 1 1 calc R U . . .
H17F H 0.238495 0.872047 0.379341 0.033 Uiso 1 1 calc R U . . .
C18C C 0.2523(9) 0.8772(6) 0.4714(5) 0.033(3) Uani 1 1 d . . . . .
H18C H 0.187114 0.885879 0.473838 0.040 Uiso 1 1 calc R U . . .
C19C C 0.3237(8) 0.9287(5) 0.4881(6) 0.033(3) Uani 1 1 d . . . . .
C20C C 0.3960(8) 0.8808(5) 0.5141(5) 0.028(2) Uani 1 1 d . . . . .
H20C H 0.443593 0.892026 0.549744 0.034 Uiso 1 1 calc R U . . .
C21C C 0.3131(9) 0.8444(6) 0.5245(6) 0.038(3) Uani 1 1 d . . . . .
H21E H 0.296230 0.852546 0.561813 0.046 Uiso 1 1 calc R U . . .
H21F H 0.318806 0.802378 0.518413 0.046 Uiso 1 1 calc R U . . .
C22C C 0.3011(11) 0.9652(8) 0.5372(8) 0.066(5) Uani 1 1 d . . . . .
H22G H 0.288266 0.939584 0.567313 0.099 Uiso 1 1 calc R U . . .
H22H H 0.354093 0.990095 0.553813 0.099 Uiso 1 1 calc R U . . .
H22I H 0.246383 0.989193 0.521692 0.099 Uiso 1 1 calc R U . . .
C23C C 0.3442(9) 0.9679(5) 0.4397(6) 0.038(3) Uani 1 1 d . . . . .
H23G H 0.358493 0.943898 0.408895 0.057 Uiso 1 1 calc R U . . .
H23H H 0.289776 0.991949 0.423803 0.057 Uiso 1 1 calc R U . . .
H23I H 0.397485 0.992851 0.455924 0.057 Uiso 1 1 calc R U . . .
C1D C 0.6284(7) 0.6636(5) 0.4718(5) 0.023(2) Uani 1 1 d . . . . .
C2D C 0.5925(9) 0.6324(5) 0.4177(5) 0.032(3) Uani 1 1 d . . . . .
C3D C 0.4939(9) 0.6303(6) 0.3907(6) 0.038(3) Uani 1 1 d . . . . .
H3DA H 0.471891 0.609564 0.355715 0.045 Uiso 1 1 calc R U . . .
C4D C 0.4327(8) 0.6590(6) 0.4167(5) 0.032(3) Uani 1 1 d . . . . .
H4DA H 0.368276 0.658179 0.399005 0.038 Uiso 1 1 calc R U . . .
C5D C 0.4646(8) 0.6906(5) 0.4708(5) 0.029(2) Uani 1 1 d . . . . .
H5DA H 0.422244 0.709870 0.488951 0.034 Uiso 1 1 calc R U . . .
C6D C 0.5634(7) 0.6915(5) 0.4955(5) 0.027(2) Uani 1 1 d . . . . .
H6DA H 0.585021 0.712595 0.530340 0.032 Uiso 1 1 calc R U . . .
C7D C 0.6636(9) 0.5988(6) 0.3919(5) 0.033(3) Uani 1 1 d . U . . .
C8D C 0.6440(9) 0.5607(5) 0.3438(5) 0.035(3) Uani 1 1 d . U . . .
H8DA H 0.582684 0.554257 0.321639 0.042 Uiso 1 1 calc R U . . .
C9D C 0.7234(11) 0.5326(6) 0.3310(5) 0.042(3) Uani 1 1 d . . . . .
H9DA H 0.713786 0.505650 0.300035 0.050 Uiso 1 1 calc R U . . .
C10D C 0.8149(10) 0.5434(5) 0.3625(5) 0.034(3) Uani 1 1 d . . . . .
H10D H 0.866028 0.523415 0.353737 0.041 Uiso 1 1 calc R U . . .
C11D C 0.8282(8) 0.5849(5) 0.4075(4) 0.025(2) Uani 1 1 d . . . . .
C12D C 0.9202(8) 0.6040(5) 0.4460(5) 0.028(2) Uani 1 1 d . . . . .
C13D C 1.0077(9) 0.5845(5) 0.4363(5) 0.034(3) Uani 1 1 d . . . . .
H13D H 1.009596 0.558244 0.405866 0.041 Uiso 1 1 calc R U . . .
C14D C 1.0896(9) 0.6047(6) 0.4723(6) 0.041(3) Uani 1 1 d . . . . .
C15D C 1.0843(8) 0.6443(5) 0.5191(6) 0.031(3) Uani 1 1 d . . . . .
C16D C 0.9951(7) 0.6601(5) 0.5263(5) 0.024(2) Uani 1 1 d . . . . .
H16D H 0.991515 0.685610 0.557031 0.028 Uiso 1 1 calc R U . . .
C17D C 1.1891(9) 0.5853(6) 0.4680(7) 0.044(3) Uani 1 1 d . . . . .
H17G H 1.195264 0.542894 0.473515 0.053 Uiso 1 1 calc R U . . .
H17H H 1.198283 0.594556 0.428922 0.053 Uiso 1 1 calc R U . . .
C18D C 1.2648(10) 0.6165(6) 0.5149(7) 0.047(4) Uani 1 1 d . U . . .
H18D H 1.330415 0.607971 0.513198 0.056 Uiso 1 1 calc R U . . .
C19D C 1.2444(9) 0.6139(7) 0.5789(7) 0.045(3) Uani 1 1 d . . . . .
C20D C 1.1733(9) 0.6667(7) 0.5569(7) 0.047(3) Uani 1 1 d . . . . .
H20D H 1.167003 0.696023 0.586744 0.056 Uiso 1 1 calc R U . . .
C21D C 1.2389(9) 0.6842(6) 0.5145(8) 0.056(4) Uani 1 1 d . . . . .
H21G H 1.291598 0.709592 0.532393 0.067 Uiso 1 1 calc R U . . .
H21H H 1.205251 0.699057 0.476254 0.067 Uiso 1 1 calc R U . . .
C22D C 1.3287(10) 0.6302(7) 0.6267(8) 0.061(5) Uani 1 1 d . . . . .
H22J H 1.356015 0.666065 0.616126 0.092 Uiso 1 1 calc R U . . .
H22K H 1.309254 0.636030 0.663124 0.092 Uiso 1 1 calc R U . . .
H22L H 1.374784 0.599138 0.631652 0.092 Uiso 1 1 calc R U . . .
C23D C 1.2026(9) 0.5570(6) 0.5969(7) 0.047(4) Uani 1 1 d . . . . .
H23J H 1.148391 0.545754 0.566689 0.070 Uiso 1 1 calc R U . . .
H23K H 1.249383 0.526229 0.602002 0.070 Uiso 1 1 calc R U . . .
H23L H 1.183854 0.563120 0.633474 0.070 Uiso 1 1 calc R U . . .
Cl1A Cl 0.5373(2) 0.94133(14) 0.30105(14) 0.0396(7) Uani 1 1 d . . . . .
Cl1B Cl 0.9435(3) 0.40268(15) 0.30614(14) 0.0448(8) Uani 1 1 d . . . . .
N1A N 0.9364(6) 0.6421(4) 0.1732(3) 0.0192(18) Uani 1 1 d . . . . .
N2A N 1.0023(6) 0.7243(4) 0.1162(4) 0.0209(18) Uani 1 1 d . . . . .
N1B N 0.7512(7) 0.5027(4) 0.0680(3) 0.024(2) Uani 1 1 d . . . . .
N2B N 0.5945(6) 0.5497(4) 0.0068(4) 0.024(2) Uani 1 1 d . . . . .
N1C N 0.6278(6) 0.7574(4) 0.3478(4) 0.0189(17) Uani 1 1 d . . . . .
N2C N 0.5607(5) 0.8167(4) 0.4254(4) 0.0177(17) Uani 1 1 d . . . . .
N1D N 0.7521(7) 0.6125(4) 0.4205(4) 0.026(2) Uani 1 1 d . U . . .
N2D N 0.9141(6) 0.6406(4) 0.4916(4) 0.026(2) Uani 1 1 d . . . . .
O1A O 0.4711(9) 0.9393(6) 0.2464(5) 0.073(4) Uani 1 1 d . . . . .
O2A O 0.6018(8) 0.8943(5) 0.3094(5) 0.065(3) Uani 1 1 d . . . . .
O3A O 0.4897(8) 0.9438(5) 0.3489(4) 0.063(3) Uani 1 1 d . . . . .
O4A O 0.5882(9) 0.9955(6) 0.3010(7) 0.088(4) Uani 1 1 d . . . . .
O1B O 0.9799(9) 0.3759(6) 0.2595(5) 0.078(4) Uani 1 1 d . . . . .
O2B O 0.8519(7) 0.4286(4) 0.2825(4) 0.048(2) Uani 1 1 d . . . . .
O3B O 1.0099(8) 0.4470(5) 0.3357(4) 0.059(3) Uani 1 1 d . . . . .
O4B O 0.9368(9) 0.3569(5) 0.3488(5) 0.081(4) Uani 1 1 d . . . . .
P1A P 0.76693(18) 0.76758(12) 0.05834(11) 0.0183(5) Uani 1 1 d . . . . .
P1B P 0.73396(18) 0.62964(12) -0.06880(11) 0.0191(5) Uani 1 1 d . . . . .
P1C P 0.79146(18) 0.85370(12) 0.49245(12) 0.0190(5) Uani 1 1 d . . . . .
P1D P 0.78632(18) 0.69828(14) 0.58639(11) 0.0230(5) Uani 1 1 d . . . . .
Pt1 Pt 0.85901(3) 0.70101(2) 0.11680(2) 0.01854(9) Uani 1 1 d . . . . .
Pt2 Pt 0.73947(3) 0.56711(2) 0.00672(2) 0.01978(9) Uani 1 1 d . . . . .
Pt3 Pt 0.70349(3) 0.79909(2) 0.41965(2) 0.01757(8) Uani 1 1 d . . . . .
Pt4 Pt 0.77138(3) 0.65871(2) 0.49642(2) 0.02168(9) Uani 1 1 d . . . . .
Cl2 Cl 0.4089(4) 0.3554(2) 0.1314(2) 0.0784(13) Uani 1 1 d . . . . .
O5 O 0.5413(10) 0.4340(7) 0.2294(6) 0.090(4) Uiso 1 1 d . . . . .
H5A H 0.505296 0.413175 0.203018 0.108 Uiso 1 1 d R U . . .
H5B H 0.509966 0.463515 0.236928 0.108 Uiso 1 1 d R U . . .
Cl1C Cl 0.3526(16) 0.5640(13) 0.2245(10) 0.065(4) Uani 0.40(3) 1 d D U P A 1
O1C O 0.347(2) 0.5768(15) 0.1630(10) 0.063(6) Uani 0.40(3) 1 d D U P A 1
O2C O 0.2739(18) 0.5256(15) 0.2290(18) 0.080(8) Uani 0.40(3) 1 d D U P A 1
O3C O 0.4415(17) 0.5357(18) 0.2516(14) 0.068(8) Uani 0.40(3) 1 d D U P A 1
O4C O 0.345(3) 0.6180(16) 0.2564(18) 0.065(7) Uani 0.40(3) 1 d D U P A 1
Cl1F Cl 0.3543(9) 0.5660(8) 0.2236(6) 0.052(2) Uani 0.60(3) 1 d D U P A 2
O1F O 0.396(2) 0.5815(11) 0.1757(9) 0.078(6) Uani 0.60(3) 1 d D U P A 2
O2F O 0.2663(11) 0.5347(10) 0.1969(11) 0.075(6) Uani 0.60(3) 1 d D U P A 2
O3F O 0.4136(17) 0.5288(12) 0.2676(9) 0.073(6) Uani 0.60(3) 1 d D U P A 2
O4F O 0.328(2) 0.6179(11) 0.2528(13) 0.071(6) Uani 0.60(3) 1 d D U P A 2
N3A N 0.4611(8) 0.7138(6) 1.0182(5) 0.049(3) Uiso 1 1 d . . . . .
C37A C 0.4399(9) 0.7450(6) 0.9799(6) 0.038(3) Uiso 1 1 d . . . . .
C38A C 0.4153(11) 0.7867(8) 0.9339(7) 0.058(4) Uiso 1 1 d . . . . .
H38A H 0.399559 0.823552 0.949726 0.087 Uiso 1 1 d R U . . .
H38B H 0.361653 0.772601 0.904820 0.087 Uiso 1 1 d R U . . .
H38C H 0.467862 0.792463 0.915841 0.087 Uiso 1 1 d R U . . .
N3B N 0.2668(10) 0.7744(7) 0.7842(6) 0.066(4) Uiso 1 1 d . . . . .
C37B C 0.2860(10) 0.7981(8) 0.7474(7) 0.054(3) Uiso 1 1 d . . . . .
C38B C 0.3035(14) 0.8257(10) 0.6961(8) 0.081(6) Uiso 1 1 d . . . . .
H38D H 0.336510 0.798785 0.676010 0.122 Uiso 1 1 d R U . . .
H38E H 0.341658 0.860288 0.707520 0.122 Uiso 1 1 d R U . . .
H38F H 0.244477 0.836818 0.670103 0.122 Uiso 1 1 d R U . . .
N3C N 0.4840(13) 0.7716(9) 0.6065(8) 0.090(5) Uiso 1 1 d . . . . .
C37C C 0.5287(13) 0.8025(10) 0.6428(8) 0.071(5) Uiso 1 1 d . . . . .
C38C C 0.5794(15) 0.8425(11) 0.6889(9) 0.088(6) Uiso 1 1 d . . . . .
H38G H 0.563085 0.882519 0.677407 0.132 Uiso 1 1 d R U . . .
H38H H 0.646405 0.836963 0.693894 0.132 Uiso 1 1 d R U . . .
H38I H 0.562052 0.834199 0.725553 0.132 Uiso 1 1 d R U . . .
N3D N 0.1248(12) 0.9773(8) 0.3232(7) 0.085(5) Uiso 1 1 d . . . . .
C37D C 0.1863(11) 0.9745(8) 0.2986(7) 0.052(4) Uiso 1 1 d . . . . .
C38D C 0.2684(13) 0.9751(10) 0.2730(9) 0.077(5) Uiso 1 1 d . . . . .
H38J H 0.287274 1.015225 0.268991 0.116 Uiso 1 1 d R U . . .
H38K H 0.252623 0.956724 0.234727 0.116 Uiso 1 1 d R U . . .
H38L H 0.319625 0.953979 0.298165 0.116 Uiso 1 1 d R U . . .
N3E N 0.9225(11) 0.9531(7) 0.2202(6) 0.069(4) Uiso 1 1 d . . . . .
C37E C 0.8535(11) 0.9486(8) 0.2368(7) 0.055(4) Uiso 1 1 d . . . . .
C38E C 0.7723(16) 0.9478(12) 0.2584(10) 0.102(8) Uiso 1 1 d . . . . .
H38M H 0.784690 0.925797 0.294706 0.154 Uiso 1 1 d R U . . .
H38N H 0.721633 0.929422 0.230153 0.154 Uiso 1 1 d R U . . .
H38O H 0.754671 0.987446 0.265734 0.154 Uiso 1 1 d R U . . .


_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
C1A C6A 1.372(15) . ?
C1A C2A 1.461(16) . ?
C1A Pt1 2.024(10) . ?
C2A C3A 1.373(15) . ?
C2A C7A 1.497(17) . ?
C3A C4A 1.361(17) . ?
C3A H3AA 0.9300 . ?
C4A C5A 1.354(17) . ?
C4A H4AA 0.9300 . ?
C5A C6A 1.423(15) . ?
C5A H5AA 0.9300 . ?
C6A H6AA 0.9300 . ?
C7A C8A 1.338(16) . ?
C7A N1A 1.354(13) . ?
C8A C9A 1.370(17) . ?
C8A H8AA 0.9300 . ?
C9A C10A 1.366(17) . ?
C9A H9AA 0.9300 . ?
C10A C11A 1.413(14) . ?
C10A H10A 0.9300 . ?
C11A N1A 1.329(13) . ?
C11A C12A 1.464(14) . ?
C12A N2A 1.354(13) . ?
C12A C13A 1.391(14) . ?
C13A C14A 1.385(15) . ?
C13A H13A 0.9300 . ?
C14A C15A 1.420(14) . ?
C14A C17A 1.518(14) . ?
C15A C16A 1.375(14) . ?
C15A C20A 1.486(14) . ?
C16A N2A 1.356(13) . ?
C16A H16A 0.9300 . ?
C17A C18A 1.546(16) . ?
C17A H17A 0.9700 . ?
C17A H17B 0.9700 . ?
C18A C21A 1.553(16) . ?
C18A C19A 1.588(16) . ?
C18A H18A 0.9800 . ?
C19A C23A 1.485(17) . ?
C19A C20A 1.548(16) . ?
C19A C22A 1.550(17) . ?
C20A C21A 1.557(15) . ?
C20A H20A 0.9800 . ?
C21A H21A 0.9700 . ?
C21A H21B 0.9700 . ?
C22A H22A 0.9600 . ?
C22A H22B 0.9600 . ?
C22A H22C 0.9600 . ?
C23A H23A 0.9600 . ?
C23A H23B 0.9600 . ?
C23A H23C 0.9600 . ?
C24A C24B 1.535(14) . ?
C24A P1A 1.838(10) . ?
C24A H24A 0.9700 . ?
C24A H24B 0.9700 . ?
C24B P1B 1.844(12) . ?
C24B H24C 0.9700 . ?
C24B H24D 0.9700 . ?
C25A C26A 1.367(15) . ?
C25A C30A 1.410(15) . ?
C25A P1A 1.828(11) . ?
C26A C27A 1.388(15) . ?
C26A H26A 0.9300 . ?
C27A C28A 1.372(18) . ?
C27A H27A 0.9300 . ?
C28A C29A 1.350(18) . ?
C28A H28A 0.9300 . ?
C29A C30A 1.378(16) . ?
C29A H29A 0.9300 . ?
C30A H30A 0.9300 . ?
C31A C32A 1.375(15) . ?
C31A C36A 1.398(14) . ?
C31A P1A 1.828(10) . ?
C32A C33A 1.398(16) . ?
C32A H32A 0.9300 . ?
C33A C34A 1.400(18) . ?
C33A H33A 0.9300 . ?
C34A C35A 1.331(18) . ?
C34A H34A 0.9300 . ?
C35A C36A 1.401(17) . ?
C35A H35A 0.9300 . ?
C36A H36A 0.9300 . ?
C25B C26B 1.374(16) . ?
C25B C30B 1.405(16) . ?
C25B P1B 1.804(10) . ?
C26B C27B 1.423(17) . ?
C26B H26B 0.9300 . ?
C27B C28B 1.33(2) . ?
C27B H27B 0.9300 . ?
C28B C29B 1.39(2) . ?
C28B H28B 0.9300 . ?
C29B C30B 1.388(16) . ?
C29B H29B 0.9300 . ?
C30B H30B 0.9300 . ?
C31B C32B 1.375(15) . ?
C31B C36B 1.402(16) . ?
C31B P1B 1.827(10) . ?
C32B C33B 1.426(15) . ?
C32B H32B 0.9300 . ?
C33B C34B 1.365(18) . ?
C33B H33B 0.9300 . ?
C34B C35B 1.339(18) . ?
C34B H34B 0.9300 . ?
C35B C36B 1.394(15) . ?
C35B H35B 0.9300 . ?
C36B H36B 0.9300 . ?
C1B C6B 1.425(16) . ?
C1B C2B 1.441(15) . ?
C1B Pt2 1.993(10) . ?
C2B C3B 1.387(15) . ?
C2B C7B 1.453(16) . ?
C3B C4B 1.371(19) . ?
C3B H3BA 0.9300 . ?
C4B C5B 1.379(17) . ?
C4B H4BA 0.9300 . ?
C5B C6B 1.341(15) . ?
C5B H5BA 0.9300 . ?
C6B H6BA 0.9300 . ?
C7B N1B 1.335(15) . ?
C7B C8B 1.414(17) . ?
C8B C9B 1.40(2) . ?
C8B H8BA 0.9300 . ?
C9B C10B 1.34(2) . ?
C9B H9BA 0.9300 . ?
C10B C11B 1.405(17) . ?
C10B H10B 0.9300 . ?
C11B N1B 1.343(15) . ?
C11B C12B 1.463(16) . ?
C12B N2B 1.372(14) . ?
C12B C13B 1.389(16) . ?
C13B C14B 1.37(2) . ?
C13B H13B 0.9300 . ?
C14B C15B 1.417(18) . ?
C14B C17B 1.503(17) . ?
C15B C16B 1.381(14) . ?
C15B C20B 1.497(17) . ?
C16B N2B 1.343(14) . ?
C16B H16B 0.9300 . ?
C17B C18B 1.54(2) . ?
C17B H17C 0.9700 . ?
C17B H17D 0.9700 . ?
C18B C21B 1.508(18) . ?
C18B C19B 1.54(2) . ?
C18B H18B 0.9800 . ?
C19B C23B 1.502(17) . ?
C19B C22B 1.51(2) . ?
C19B C20B 1.582(16) . ?
C20B C21B 1.585(16) . ?
C20B H20B 0.9800 . ?
C21B H21C 0.9700 . ?
C21B H21D 0.9700 . ?
C22B H22D 0.9600 . ?
C22B H22E 0.9600 . ?
C22B H22F 0.9600 . ?
C23B H23D 0.9600 . ?
C23B H23E 0.9600 . ?
C23B H23F 0.9600 . ?
C24C C24D 1.547(14) . ?
C24C P1C 1.823(11) . ?
C24C H24E 0.9700 . ?
C24C H24F 0.9700 . ?
C24D P1D 1.849(14) . ?
C24D H24G 0.9700 . ?
C24D H24H 0.9700 . ?
C25C C26C 1.391(16) . ?
C25C C30C 1.395(16) . ?
C25C P1C 1.822(10) . ?
C26C C27C 1.396(19) . ?
C26C H26C 0.9300 . ?
C27C C28C 1.38(2) . ?
C27C H27C 0.9300 . ?
C28C C29C 1.35(2) . ?
C28C H28C 0.9300 . ?
C29C C30C 1.397(17) . ?
C29C H29C 0.9300 . ?
C30C H30C 0.9300 . ?
C31C C32C 1.417(15) . ?
C31C C36C 1.416(15) . ?
C31C P1C 1.800(10) . ?
C32C C33C 1.394(16) . ?
C32C H32C 0.9300 . ?
C33C C34C 1.366(17) . ?
C33C H33C 0.9300 . ?
C34C C35C 1.377(17) . ?
C34C H34C 0.9300 . ?
C35C C36C 1.372(16) . ?
C35C H35C 0.9300 . ?
C36C H36C 0.9300 . ?
C25D C30D 1.370(16) . ?
C25D C26D 1.417(16) . ?
C25D P1D 1.831(12) . ?
C26D C27D 1.393(16) . ?
C26D H26D 0.9300 . ?
C27D C28D 1.40(2) . ?
C27D H27D 0.9300 . ?
C28D C29D 1.39(2) . ?
C28D H28D 0.9300 . ?
C29D C30D 1.376(17) . ?
C29D H29D 0.9300 . ?
C30D H30D 0.9300 . ?
C31D C36D 1.383(17) . ?
C31D C32D 1.408(16) . ?
C31D P1D 1.819(10) . ?
C32D C33D 1.391(17) . ?
C32D H32D 0.9300 . ?
C33D C34D 1.37(2) . ?
C33D H33D 0.9300 . ?
C34D C35D 1.38(2) . ?
C34D H34D 0.9300 . ?
C35D C36D 1.377(17) . ?
C35D H35D 0.9300 . ?
C36D H36D 0.9300 . ?
C1C C6C 1.363(15) . ?
C1C C2C 1.436(14) . ?
C1C Pt3 2.028(10) . ?
C2C C3C 1.414(14) . ?
C2C C7C 1.488(15) . ?
C3C C4C 1.392(16) . ?
C3C H3CA 0.9300 . ?
C4C C5C 1.375(17) . ?
C4C H4CA 0.9300 . ?
C5C C6C 1.382(15) . ?
C5C H5CA 0.9300 . ?
C6C H6CA 0.9300 . ?
C7C C8C 1.346(15) . ?
C7C N1C 1.368(13) . ?
C8C C9C 1.382(16) . ?
C8C H8CA 0.9300 . ?
C9C C10C 1.392(16) . ?
C9C H9CA 0.9300 . ?
C10C C11C 1.412(13) . ?
C10C H10C 0.9300 . ?
C11C N1C 1.343(13) . ?
C11C C12C 1.464(14) . ?
C12C C13C 1.370(15) . ?
C12C N2C 1.381(13) . ?
C13C C14C 1.410(14) . ?
C13C H13C 0.9300 . ?
C14C C15C 1.368(15) . ?
C14C C17C 1.516(14) . ?
C15C C16C 1.384(14) . ?
C15C C20C 1.508(13) . ?
C16C N2C 1.323(12) . ?
C16C H16C 0.9300 . ?
C17C C18C 1.568(15) . ?
C17C H17E 0.9700 . ?
C17C H17F 0.9700 . ?
C18C C21C 1.532(18) . ?
C18C C19C 1.547(16) . ?
C18C H18C 0.9800 . ?
C19C C22C 1.506(17) . ?
C19C C23C 1.515(18) . ?
C19C C20C 1.533(17) . ?
C20C C21C 1.523(16) . ?
C20C H20C 0.9800 . ?
C21C H21E 0.9700 . ?
C21C H21F 0.9700 . ?
C22C H22G 0.9600 . ?
C22C H22H 0.9600 . ?
C22C H22I 0.9600 . ?
C23C H23G 0.9600 . ?
C23C H23H 0.9600 . ?
C23C H23I 0.9600 . ?
C1D C6D 1.354(15) . ?
C1D C2D 1.431(16) . ?
C1D Pt4 2.022(10) . ?
C2D C3D 1.423(17) . ?
C2D C7D 1.513(17) . ?
C3D C4D 1.350(18) . ?
C3D H3DA 0.9300 . ?
C4D C5D 1.426(17) . ?
C4D H4DA 0.9300 . ?
C5D C6D 1.415(15) . ?
C5D H5DA 0.9300 . ?
C6D H6DA 0.9300 . ?
C7D N1D 1.339(16) . ?
C7D C8D 1.387(18) . ?
C8D C9D 1.406(19) . ?
C8D H8DA 0.9300 . ?
C9D C10D 1.381(19) . ?
C9D H9DA 0.9300 . ?
C10D C11D 1.387(16) . ?
C10D H10D 0.9300 . ?
C11D N1D 1.361(14) . ?
C11D C12D 1.488(17) . ?
C12D N2D 1.365(14) . ?
C12D C13D 1.409(16) . ?
C13D C14D 1.363(19) . ?
C13D H13D 0.9300 . ?
C14D C15D 1.424(19) . ?
C14D C17D 1.534(16) . ?
C15D C16D 1.389(14) . ?
C15D C20D 1.474(18) . ?
C16D N2D 1.336(14) . ?
C16D H16D 0.9300 . ?
C17D C18D 1.53(2) . ?
C17D H17G 0.9700 . ?
C17D H17H 0.9700 . ?
C18D C21D 1.577(19) . ?
C18D C19D 1.58(2) . ?
C18D H18D 0.9800 . ?
C19D C22D 1.50(2) . ?
C19D C23D 1.524(18) . ?
C19D C20D 1.585(18) . ?
C20D C21D 1.570(19) . ?
C20D H20D 0.9800 . ?
C21D H21G 0.9700 . ?
C21D H21H 0.9700 . ?
C22D H22J 0.9600 . ?
C22D H22K 0.9600 . ?
C22D H22L 0.9600 . ?
C23D H23J 0.9600 . ?
C23D H23K 0.9600 . ?
C23D H23L 0.9600 . ?
Cl1A O2A 1.401(10) . ?
Cl1A O1A 1.404(12) . ?
Cl1A O4A 1.433(13) . ?
Cl1A O3A 1.438(10) . ?
Cl1B O2B 1.440(10) . ?
Cl1B O1B 1.444(11) . ?
Cl1B O3B 1.450(11) . ?
Cl1B O4B 1.454(12) . ?
N1A Pt1 2.020(8) . ?
N2A Pt1 2.147(8) . ?
N1B Pt2 2.018(8) . ?
N2B Pt2 2.140(8) . ?
N1C Pt3 2.008(9) . ?
N2C Pt3 2.143(8) . ?
N1D Pt4 2.013(9) . ?
N2D Pt4 2.138(9) . ?
P1A Pt1 2.250(3) . ?
P1B Pt2 2.242(3) . ?
P1C Pt3 2.241(3) . ?
P1D Pt4 2.238(3) . ?
O5 H5A 0.8499 . ?
O5 H5B 0.8500 . ?
Cl1C O1C 1.440(17) . ?
Cl1C O3C 1.447(18) . ?
Cl1C O4C 1.450(17) . ?
Cl1C O2C 1.458(18) . ?
Cl1F O1F 1.431(15) . ?
Cl1F O3F 1.446(15) . ?
Cl1F O4F 1.451(15) . ?
Cl1F O2F 1.466(15) . ?
N3A C37A 1.122(16) . ?
C37A C38A 1.41(2) . ?
C38A H38A 0.9600 . ?
C38A H38B 0.9600 . ?
C38A H38C 0.9600 . ?
N3B C37B 1.098(19) . ?
C37B C38B 1.42(2) . ?
C38B H38D 0.9600 . ?
C38B H38E 0.9600 . ?
C38B H38F 0.9600 . ?
N3C C37C 1.17(2) . ?
C37C C38C 1.46(3) . ?
C38C H38G 0.9600 . ?
C38C H38H 0.9600 . ?
C38C H38I 0.9600 . ?
N3D C37D 1.17(2) . ?
C37D C38D 1.45(2) . ?
C38D H38J 0.9600 . ?
C38D H38K 0.9600 . ?
C38D H38L 0.9600 . ?
N3E C37E 1.157(19) . ?
C37E C38E 1.38(2) . ?
C38E H38M 0.9600 . ?
C38E H38N 0.9600 . ?
C38E H38O 0.9600 . ?

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
C6A C1A C2A 116.2(10) . . ?
C6A C1A Pt1 132.5(8) . . ?
C2A C1A Pt1 111.3(8) . . ?
C3A C2A C1A 120.4(11) . . ?
C3A C2A C7A 123.2(11) . . ?
C1A C2A C7A 116.4(9) . . ?
C4A C3A C2A 121.8(12) . . ?
C4A C3A H3AA 119.1 . . ?
C2A C3A H3AA 119.1 . . ?
C5A C4A C3A 119.3(10) . . ?
C5A C4A H4AA 120.3 . . ?
C3A C4A H4AA 120.3 . . ?
C4A C5A C6A 121.4(11) . . ?
C4A C5A H5AA 119.3 . . ?
C6A C5A H5AA 119.3 . . ?
C1A C6A C5A 120.8(11) . . ?
C1A C6A H6AA 119.6 . . ?
C5A C6A H6AA 119.6 . . ?
C8A C7A N1A 118.3(11) . . ?
C8A C7A C2A 129.4(11) . . ?
N1A C7A C2A 112.2(9) . . ?
C7A C8A C9A 120.9(12) . . ?
C7A C8A H8AA 119.6 . . ?
C9A C8A H8AA 119.6 . . ?
C10A C9A C8A 121.5(11) . . ?
C10A C9A H9AA 119.3 . . ?
C8A C9A H9AA 119.3 . . ?
C9A C10A C11A 116.4(10) . . ?
C9A C10A H10A 121.8 . . ?
C11A C10A H10A 121.8 . . ?
N1A C11A C10A 119.8(9) . . ?
N1A C11A C12A 115.1(9) . . ?
C10A C11A C12A 125.1(10) . . ?
N2A C12A C13A 122.0(10) . . ?
N2A C12A C11A 114.6(9) . . ?
C13A C12A C11A 123.1(10) . . ?
C14A C13A C12A 119.7(10) . . ?
C14A C13A H13A 120.1 . . ?
C12A C13A H13A 120.1 . . ?
C13A C14A C15A 118.5(9) . . ?
C13A C14A C17A 123.6(10) . . ?
C15A C14A C17A 117.9(9) . . ?
C16A C15A C14A 118.2(10) . . ?
C16A C15A C20A 125.0(10) . . ?
C14A C15A C20A 116.8(9) . . ?
N2A C16A C15A 123.5(10) . . ?
N2A C16A H16A 118.3 . . ?
C15A C16A H16A 118.3 . . ?
C14A C17A C18A 110.6(9) . . ?
C14A C17A H17A 109.5 . . ?
C18A C17A H17A 109.5 . . ?
C14A C17A H17B 109.5 . . ?
C18A C17A H17B 109.5 . . ?
H17A C17A H17B 108.1 . . ?
C17A C18A C21A 107.8(9) . . ?
C17A C18A C19A 109.8(8) . . ?
C21A C18A C19A 87.4(8) . . ?
C17A C18A H18A 116.1 . . ?
C21A C18A H18A 116.1 . . ?
C19A C18A H18A 116.1 . . ?
C23A C19A C20A 119.7(10) . . ?
C23A C19A C22A 109.8(11) . . ?
C20A C19A C22A 109.7(10) . . ?
C23A C19A C18A 120.2(10) . . ?
C20A C19A C18A 85.5(8) . . ?
C22A C19A C18A 109.8(9) . . ?
C15A C20A C19A 109.7(9) . . ?
C15A C20A C21A 106.2(9) . . ?
C19A C20A C21A 88.7(8) . . ?
C15A C20A H20A 116.3 . . ?
C19A C20A H20A 116.3 . . ?
C21A C20A H20A 116.3 . . ?
C18A C21A C20A 86.4(8) . . ?
C18A C21A H21A 114.3 . . ?
C20A C21A H21A 114.3 . . ?
C18A C21A H21B 114.3 . . ?
C20A C21A H21B 114.3 . . ?
H21A C21A H21B 111.4 . . ?
C19A C22A H22A 109.5 . . ?
C19A C22A H22B 109.5 . . ?
H22A C22A H22B 109.5 . . ?
C19A C22A H22C 109.5 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
C19A C23A H23A 109.5 . . ?
C19A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C19A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C24B C24A P1A 113.1(7) . . ?
C24B C24A H24A 109.0 . . ?
P1A C24A H24A 109.0 . . ?
C24B C24A H24B 109.0 . . ?
P1A C24A H24B 109.0 . . ?
H24A C24A H24B 107.8 . . ?
C24A C24B P1B 113.7(7) . . ?
C24A C24B H24C 108.8 . . ?
P1B C24B H24C 108.8 . . ?
C24A C24B H24D 108.8 . . ?
P1B C24B H24D 108.8 . . ?
H24C C24B H24D 107.7 . . ?
C26A C25A C30A 118.4(10) . . ?
C26A C25A P1A 126.4(8) . . ?
C30A C25A P1A 115.1(8) . . ?
C25A C26A C27A 121.7(11) . . ?
C25A C26A H26A 119.1 . . ?
C27A C26A H26A 119.1 . . ?
C28A C27A C26A 119.3(11) . . ?
C28A C27A H27A 120.3 . . ?
C26A C27A H27A 120.3 . . ?
C29A C28A C27A 119.5(11) . . ?
C29A C28A H28A 120.2 . . ?
C27A C28A H28A 120.2 . . ?
C28A C29A C30A 122.5(12) . . ?
C28A C29A H29A 118.7 . . ?
C30A C29A H29A 118.7 . . ?
C29A C30A C25A 118.5(11) . . ?
C29A C30A H30A 120.8 . . ?
C25A C30A H30A 120.8 . . ?
C32A C31A C36A 119.8(10) . . ?
C32A C31A P1A 119.5(8) . . ?
C36A C31A P1A 120.6(9) . . ?
C31A C32A C33A 120.5(10) . . ?
C31A C32A H32A 119.8 . . ?
C33A C32A H32A 119.8 . . ?
C32A C33A C34A 118.5(12) . . ?
C32A C33A H33A 120.7 . . ?
C34A C33A H33A 120.7 . . ?
C35A C34A C33A 121.3(11) . . ?
C35A C34A H34A 119.4 . . ?
C33A C34A H34A 119.4 . . ?
C34A C35A C36A 120.9(11) . . ?
C34A C35A H35A 119.6 . . ?
C36A C35A H35A 119.6 . . ?
C31A C36A C35A 119.0(12) . . ?
C31A C36A H36A 120.5 . . ?
C35A C36A H36A 120.5 . . ?
C26B C25B C30B 118.3(10) . . ?
C26B C25B P1B 124.9(9) . . ?
C30B C25B P1B 116.8(9) . . ?
C25B C26B C27B 119.5(12) . . ?
C25B C26B H26B 120.3 . . ?
C27B C26B H26B 120.3 . . ?
C28B C27B C26B 121.7(13) . . ?
C28B C27B H27B 119.2 . . ?
C26B C27B H27B 119.2 . . ?
C27B C28B C29B 119.9(12) . . ?
C27B C28B H28B 120.0 . . ?
C29B C28B H28B 120.0 . . ?
C30B C29B C28B 119.7(13) . . ?
C30B C29B H29B 120.1 . . ?
C28B C29B H29B 120.1 . . ?
C29B C30B C25B 120.8(13) . . ?
C29B C30B H30B 119.6 . . ?
C25B C30B H30B 119.6 . . ?
C32B C31B C36B 121.1(10) . . ?
C32B C31B P1B 120.5(9) . . ?
C36B C31B P1B 118.2(8) . . ?
C31B C32B C33B 118.2(11) . . ?
C31B C32B H32B 120.9 . . ?
C33B C32B H32B 120.9 . . ?
C34B C33B C32B 120.7(11) . . ?
C34B C33B H33B 119.6 . . ?
C32B C33B H33B 119.6 . . ?
C35B C34B C33B 119.4(10) . . ?
C35B C34B H34B 120.3 . . ?
C33B C34B H34B 120.3 . . ?
C34B C35B C36B 123.3(12) . . ?
C34B C35B H35B 118.4 . . ?
C36B C35B H35B 118.4 . . ?
C35B C36B C31B 117.3(11) . . ?
C35B C36B H36B 121.4 . . ?
C31B C36B H36B 121.4 . . ?
C6B C1B C2B 114.1(9) . . ?
C6B C1B Pt2 133.4(8) . . ?
C2B C1B Pt2 112.3(8) . . ?
C3B C2B C1B 121.4(11) . . ?
C3B C2B C7B 123.2(11) . . ?
C1B C2B C7B 115.4(9) . . ?
C4B C3B C2B 120.4(12) . . ?
C4B C3B H3BA 119.8 . . ?
C2B C3B H3BA 119.8 . . ?
C3B C4B C5B 119.7(11) . . ?
C3B C4B H4BA 120.2 . . ?
C5B C4B H4BA 120.2 . . ?
C6B C5B C4B 121.0(12) . . ?
C6B C5B H5BA 119.5 . . ?
C4B C5B H5BA 119.5 . . ?
C5B C6B C1B 123.3(11) . . ?
C5B C6B H6BA 118.4 . . ?
C1B C6B H6BA 118.4 . . ?
N1B C7B C8B 118.3(11) . . ?
N1B C7B C2B 114.2(10) . . ?
C8B C7B C2B 127.5(11) . . ?
C9B C8B C7B 117.9(12) . . ?
C9B C8B H8BA 121.0 . . ?
C7B C8B H8BA 121.0 . . ?
C10B C9B C8B 121.5(13) . . ?
C10B C9B H9BA 119.3 . . ?
C8B C9B H9BA 119.3 . . ?
C9B C10B C11B 119.5(12) . . ?
C9B C10B H10B 120.2 . . ?
C11B C10B H10B 120.2 . . ?
N1B C11B C10B 118.3(11) . . ?
N1B C11B C12B 113.8(10) . . ?
C10B C11B C12B 127.8(11) . . ?
N2B C12B C13B 121.0(11) . . ?
N2B C12B C11B 116.2(9) . . ?
C13B C12B C11B 122.7(11) . . ?
C14B C13B C12B 122.0(12) . . ?
C14B C13B H13B 119.0 . . ?
C12B C13B H13B 119.0 . . ?
C13B C14B C15B 115.8(11) . . ?
C13B C14B C17B 126.7(13) . . ?
C15B C14B C17B 117.5(12) . . ?
C16B C15B C14B 120.7(11) . . ?
C16B C15B C20B 123.0(11) . . ?
C14B C15B C20B 116.2(10) . . ?
N2B C16B C15B 122.3(10) . . ?
N2B C16B H16B 118.8 . . ?
C15B C16B H16B 118.8 . . ?
C14B C17B C18B 111.1(12) . . ?
C14B C17B H17C 109.4 . . ?
C18B C17B H17C 109.4 . . ?
C14B C17B H17D 109.4 . . ?
C18B C17B H17D 109.4 . . ?
H17C C17B H17D 108.0 . . ?
C21B C18B C17B 108.6(12) . . ?
C21B C18B C19B 91.0(10) . . ?
C17B C18B C19B 109.9(10) . . ?
C21B C18B H18B 114.9 . . ?
C17B C18B H18B 114.9 . . ?
C19B C18B H18B 114.9 . . ?
C23B C19B C22B 108.1(12) . . ?
C23B C19B C18B 122.4(12) . . ?
C22B C19B C18B 112.0(11) . . ?
C23B C19B C20B 116.9(9) . . ?
C22B C19B C20B 111.6(11) . . ?
C18B C19B C20B 84.2(10) . . ?
C15B C20B C21B 106.9(11) . . ?
C15B C20B C19B 109.3(10) . . ?
C21B C20B C19B 86.9(9) . . ?
C15B C20B H20B 116.6 . . ?
C21B C20B H20B 116.6 . . ?
C19B C20B H20B 116.6 . . ?
C18B C21B C20B 85.3(9) . . ?
C18B C21B H21C 114.4 . . ?
C20B C21B H21C 114.4 . . ?
C18B C21B H21D 114.4 . . ?
C20B C21B H21D 114.4 . . ?
H21C C21B H21D 111.6 . . ?
C19B C22B H22D 109.5 . . ?
C19B C22B H22E 109.5 . . ?
H22D C22B H22E 109.5 . . ?
C19B C22B H22F 109.5 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
C19B C23B H23D 109.5 . . ?
C19B C23B H23E 109.5 . . ?
H23D C23B H23E 109.5 . . ?
C19B C23B H23F 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C24D C24C P1C 111.9(8) . . ?
C24D C24C H24E 109.2 . . ?
P1C C24C H24E 109.2 . . ?
C24D C24C H24F 109.2 . . ?
P1C C24C H24F 109.2 . . ?
H24E C24C H24F 107.9 . . ?
C24C C24D P1D 113.3(8) . . ?
C24C C24D H24G 108.9 . . ?
P1D C24D H24G 108.9 . . ?
C24C C24D H24H 108.9 . . ?
P1D C24D H24H 108.9 . . ?
H24G C24D H24H 107.7 . . ?
C26C C25C C30C 119.2(11) . . ?
C26C C25C P1C 123.7(9) . . ?
C30C C25C P1C 117.0(9) . . ?
C25C C26C C27C 120.2(13) . . ?
C25C C26C H26C 119.9 . . ?
C27C C26C H26C 119.9 . . ?
C28C C27C C26C 119.4(14) . . ?
C28C C27C H27C 120.3 . . ?
C26C C27C H27C 120.3 . . ?
C29C C28C C27C 120.8(13) . . ?
C29C C28C H28C 119.6 . . ?
C27C C28C H28C 119.6 . . ?
C28C C29C C30C 120.9(15) . . ?
C28C C29C H29C 119.6 . . ?
C30C C29C H29C 119.6 . . ?
C25C C30C C29C 119.4(13) . . ?
C25C C30C H30C 120.3 . . ?
C29C C30C H30C 120.3 . . ?
C32C C31C C36C 117.2(10) . . ?
C32C C31C P1C 121.4(8) . . ?
C36C C31C P1C 121.4(8) . . ?
C33C C32C C31C 119.8(10) . . ?
C33C C32C H32C 120.1 . . ?
C31C C32C H32C 120.1 . . ?
C34C C33C C32C 121.4(11) . . ?
C34C C33C H33C 119.3 . . ?
C32C C33C H33C 119.3 . . ?
C33C C34C C35C 119.5(11) . . ?
C33C C34C H34C 120.2 . . ?
C35C C34C H34C 120.2 . . ?
C36C C35C C34C 121.0(11) . . ?
C36C C35C H35C 119.5 . . ?
C34C C35C H35C 119.5 . . ?
C35C C36C C31C 121.0(11) . . ?
C35C C36C H36C 119.5 . . ?
C31C C36C H36C 119.5 . . ?
C30D C25D C26D 119.5(11) . . ?
C30D C25D P1D 118.5(9) . . ?
C26D C25D P1D 122.0(9) . . ?
C27D C26D C25D 119.0(11) . . ?
C27D C26D H26D 120.5 . . ?
C25D C26D H26D 120.5 . . ?
C26D C27D C28D 120.0(13) . . ?
C26D C27D H27D 120.0 . . ?
C28D C27D H27D 120.0 . . ?
C29D C28D C27D 120.5(12) . . ?
C29D C28D H28D 119.7 . . ?
C27D C28D H28D 119.7 . . ?
C30D C29D C28D 118.7(13) . . ?
C30D C29D H29D 120.6 . . ?
C28D C29D H29D 120.6 . . ?
C25D C30D C29D 122.2(13) . . ?
C25D C30D H30D 118.9 . . ?
C29D C30D H30D 118.9 . . ?
C36D C31D C32D 118.7(10) . . ?
C36D C31D P1D 119.9(9) . . ?
C32D C31D P1D 121.2(9) . . ?
C33D C32D C31D 119.9(13) . . ?
C33D C32D H32D 120.0 . . ?
C31D C32D H32D 120.0 . . ?
C34D C33D C32D 120.3(14) . . ?
C34D C33D H33D 119.8 . . ?
C32D C33D H33D 119.8 . . ?
C33D C34D C35D 120.0(12) . . ?
C33D C34D H34D 120.0 . . ?
C35D C34D H34D 120.0 . . ?
C36D C35D C34D 120.5(14) . . ?
C36D C35D H35D 119.8 . . ?
C34D C35D H35D 119.8 . . ?
C35D C36D C31D 120.6(13) . . ?
C35D C36D H36D 119.7 . . ?
C31D C36D H36D 119.7 . . ?
C6C C1C C2C 115.9(9) . . ?
C6C C1C Pt3 133.2(8) . . ?
C2C C1C Pt3 110.9(7) . . ?
C3C C2C C1C 121.4(9) . . ?
C3C C2C C7C 120.4(9) . . ?
C1C C2C C7C 118.2(8) . . ?
C4C C3C C2C 118.6(10) . . ?
C4C C3C H3CA 120.7 . . ?
C2C C3C H3CA 120.7 . . ?
C5C C4C C3C 120.2(10) . . ?
C5C C4C H4CA 119.9 . . ?
C3C C4C H4CA 119.9 . . ?
C4C C5C C6C 120.1(11) . . ?
C4C C5C H5CA 120.0 . . ?
C6C C5C H5CA 120.0 . . ?
C1C C6C C5C 123.7(11) . . ?
C1C C6C H6CA 118.1 . . ?
C5C C6C H6CA 118.1 . . ?
C8C C7C N1C 119.5(10) . . ?
C8C C7C C2C 130.0(10) . . ?
N1C C7C C2C 110.5(9) . . ?
C7C C8C C9C 120.6(10) . . ?
C7C C8C H8CA 119.7 . . ?
C9C C8C H8CA 119.7 . . ?
C8C C9C C10C 119.7(10) . . ?
C8C C9C H9CA 120.2 . . ?
C10C C9C H9CA 120.2 . . ?
C9C C10C C11C 118.3(10) . . ?
C9C C10C H10C 120.9 . . ?
C11C C10C H10C 120.9 . . ?
N1C C11C C10C 119.0(9) . . ?
N1C C11C C12C 115.1(9) . . ?
C10C C11C C12C 125.7(10) . . ?
C13C C12C N2C 122.1(9) . . ?
C13C C12C C11C 123.2(9) . . ?
N2C C12C C11C 114.7(9) . . ?
C12C C13C C14C 119.1(9) . . ?
C12C C13C H13C 120.5 . . ?
C14C C13C H13C 120.5 . . ?
C15C C14C C13C 118.4(9) . . ?
C15C C14C C17C 119.7(9) . . ?
C13C C14C C17C 121.9(9) . . ?
C14C C15C C16C 119.3(9) . . ?
C14C C15C C20C 116.0(9) . . ?
C16C C15C C20C 124.6(9) . . ?
N2C C16C C15C 123.6(9) . . ?
N2C C16C H16C 118.2 . . ?
C15C C16C H16C 118.2 . . ?
C14C C17C C18C 109.3(9) . . ?
C14C C17C H17E 109.8 . . ?
C18C C17C H17E 109.8 . . ?
C14C C17C H17F 109.8 . . ?
C18C C17C H17F 109.8 . . ?
H17E C17C H17F 108.3 . . ?
C21C C18C C19C 86.4(10) . . ?
C21C C18C C17C 109.2(10) . . ?
C19C C18C C17C 110.6(9) . . ?
C21C C18C H18C 115.7 . . ?
C19C C18C H18C 115.7 . . ?
C17C C18C H18C 115.7 . . ?
C22C C19C C23C 110.7(12) . . ?
C22C C19C C20C 109.8(11) . . ?
C23C C19C C20C 118.3(10) . . ?
C22C C19C C18C 110.7(11) . . ?
C23C C19C C18C 119.5(10) . . ?
C20C C19C C18C 85.6(9) . . ?
C15C C20C C21C 108.6(9) . . ?
C15C C20C C19C 110.4(9) . . ?
C21C C20C C19C 87.2(9) . . ?
C15C C20C H20C 115.7 . . ?
C21C C20C H20C 115.7 . . ?
C19C C20C H20C 115.7 . . ?
C20C C21C C18C 86.4(9) . . ?
C20C C21C H21E 114.2 . . ?
C18C C21C H21E 114.2 . . ?
C20C C21C H21F 114.2 . . ?
C18C C21C H21F 114.2 . . ?
H21E C21C H21F 111.4 . . ?
C19C C22C H22G 109.5 . . ?
C19C C22C H22H 109.5 . . ?
H22G C22C H22H 109.5 . . ?
C19C C22C H22I 109.5 . . ?
H22G C22C H22I 109.5 . . ?
H22H C22C H22I 109.5 . . ?
C19C C23C H23G 109.5 . . ?
C19C C23C H23H 109.5 . . ?
H23G C23C H23H 109.5 . . ?
C19C C23C H23I 109.5 . . ?
H23G C23C H23I 109.5 . . ?
H23H C23C H23I 109.5 . . ?
C6D C1D C2D 116.2(10) . . ?
C6D C1D Pt4 132.5(9) . . ?
C2D C1D Pt4 111.3(8) . . ?
C3D C2D C1D 121.8(11) . . ?
C3D C2D C7D 121.1(11) . . ?
C1D C2D C7D 117.0(10) . . ?
C4D C3D C2D 119.0(12) . . ?
C4D C3D H3DA 120.5 . . ?
C2D C3D H3DA 120.5 . . ?
C3D C4D C5D 121.6(11) . . ?
C3D C4D H4DA 119.2 . . ?
C5D C4D H4DA 119.2 . . ?
C6D C5D C4D 117.1(11) . . ?
C6D C5D H5DA 121.4 . . ?
C4D C5D H5DA 121.4 . . ?
C1D C6D C5D 124.3(11) . . ?
C1D C6D H6DA 117.8 . . ?
C5D C6D H6DA 117.8 . . ?
N1D C7D C8D 122.6(11) . . ?
N1D C7D C2D 110.4(11) . . ?
C8D C7D C2D 126.9(12) . . ?
C7D C8D C9D 115.2(12) . . ?
C7D C8D H8DA 122.4 . . ?
C9D C8D H8DA 122.4 . . ?
C10D C9D C8D 122.8(11) . . ?
C10D C9D H9DA 118.6 . . ?
C8D C9D H9DA 118.6 . . ?
C9D C10D C11D 117.9(12) . . ?
C9D C10D H10D 121.1 . . ?
C11D C10D H10D 121.1 . . ?
N1D C11D C10D 120.1(11) . . ?
N1D C11D C12D 113.2(9) . . ?
C10D C11D C12D 126.7(11) . . ?
N2D C12D C13D 122.4(11) . . ?
N2D C12D C11D 115.6(9) . . ?
C13D C12D C11D 122.0(10) . . ?
C14D C13D C12D 119.1(11) . . ?
C14D C13D H13D 120.5 . . ?
C12D C13D H13D 120.5 . . ?
C13D C14D C15D 119.1(11) . . ?
C13D C14D C17D 124.2(13) . . ?
C15D C14D C17D 116.6(12) . . ?
C16D C15D C14D 118.0(11) . . ?
C16D C15D C20D 123.4(12) . . ?
C14D C15D C20D 118.5(11) . . ?
N2D C16D C15D 123.7(10) . . ?
N2D C16D H16D 118.1 . . ?
C15D C16D H16D 118.1 . . ?
C18D C17D C14D 110.6(11) . . ?
C18D C17D H17G 109.5 . . ?
C14D C17D H17G 109.5 . . ?
C18D C17D H17H 109.5 . . ?
C14D C17D H17H 109.5 . . ?
H17G C17D H17H 108.1 . . ?
C17D C18D C21D 108.3(12) . . ?
C17D C18D C19D 113.1(10) . . ?
C21D C18D C19D 86.9(12) . . ?
C17D C18D H18D 115.1 . . ?
C21D C18D H18D 115.1 . . ?
C19D C18D H18D 115.1 . . ?
C22D C19D C23D 108.2(12) . . ?
C22D C19D C18D 113.0(11) . . ?
C23D C19D C18D 117.6(13) . . ?
C22D C19D C20D 114.3(13) . . ?
C23D C19D C20D 117.2(10) . . ?
C18D C19D C20D 85.3(10) . . ?
C15D C20D C21D 106.7(12) . . ?
C15D C20D C19D 110.3(12) . . ?
C21D C20D C19D 87.1(10) . . ?
C15D C20D H20D 116.3 . . ?
C21D C20D H20D 116.3 . . ?
C19D C20D H20D 116.3 . . ?
C20D C21D C18D 86.0(10) . . ?
C20D C21D H21G 114.3 . . ?
C18D C21D H21G 114.3 . . ?
C20D C21D H21H 114.3 . . ?
C18D C21D H21H 114.3 . . ?
H21G C21D H21H 111.5 . . ?
C19D C22D H22J 109.5 . . ?
C19D C22D H22K 109.5 . . ?
H22J C22D H22K 109.5 . . ?
C19D C22D H22L 109.5 . . ?
H22J C22D H22L 109.5 . . ?
H22K C22D H22L 109.5 . . ?
C19D C23D H23J 109.5 . . ?
C19D C23D H23K 109.5 . . ?
H23J C23D H23K 109.5 . . ?
C19D C23D H23L 109.5 . . ?
H23J C23D H23L 109.5 . . ?
H23K C23D H23L 109.5 . . ?
O2A Cl1A O1A 113.3(8) . . ?
O2A Cl1A O4A 108.9(8) . . ?
O1A Cl1A O4A 105.8(8) . . ?
O2A Cl1A O3A 110.3(6) . . ?
O1A Cl1A O3A 110.5(7) . . ?
O4A Cl1A O3A 107.9(9) . . ?
O2B Cl1B O1B 110.5(6) . . ?
O2B Cl1B O3B 110.6(7) . . ?
O1B Cl1B O3B 109.2(8) . . ?
O2B Cl1B O4B 110.4(7) . . ?
O1B Cl1B O4B 107.9(8) . . ?
O3B Cl1B O4B 108.2(6) . . ?
C11A N1A C7A 123.0(9) . . ?
C11A N1A Pt1 119.1(7) . . ?
C7A N1A Pt1 118.0(7) . . ?
C12A N2A C16A 118.1(9) . . ?
C12A N2A Pt1 114.0(7) . . ?
C16A N2A Pt1 127.8(7) . . ?
C7B N1B C11B 124.3(10) . . ?
C7B N1B Pt2 116.3(8) . . ?
C11B N1B Pt2 119.1(8) . . ?
C16B N2B C12B 117.9(9) . . ?
C16B N2B Pt2 129.1(7) . . ?
C12B N2B Pt2 112.6(7) . . ?
C11C N1C C7C 122.4(9) . . ?
C11C N1C Pt3 118.9(6) . . ?
C7C N1C Pt3 118.5(7) . . ?
C16C N2C C12C 117.2(8) . . ?
C16C N2C Pt3 129.6(7) . . ?
C12C N2C Pt3 113.1(6) . . ?
C7D N1D C11D 121.0(10) . . ?
C7D N1D Pt4 118.6(8) . . ?
C11D N1D Pt4 118.6(8) . . ?
C16D N2D C12D 117.6(9) . . ?
C16D N2D Pt4 129.1(7) . . ?
C12D N2D Pt4 113.3(8) . . ?
C25A P1A C31A 99.6(4) . . ?
C25A P1A C24A 105.7(5) . . ?
C31A P1A C24A 105.0(5) . . ?
C25A P1A Pt1 115.6(3) . . ?
C31A P1A Pt1 116.7(4) . . ?
C24A P1A Pt1 112.7(4) . . ?
C25B P1B C31B 101.1(4) . . ?
C25B P1B C24B 106.3(5) . . ?
C31B P1B C24B 104.8(5) . . ?
C25B P1B Pt2 113.2(4) . . ?
C31B P1B Pt2 114.6(4) . . ?
C24B P1B Pt2 115.5(3) . . ?
C31C P1C C24C 105.4(5) . . ?
C31C P1C C25C 101.1(5) . . ?
C24C P1C C25C 105.8(5) . . ?
C31C P1C Pt3 115.1(4) . . ?
C24C P1C Pt3 114.0(4) . . ?
C25C P1C Pt3 114.2(4) . . ?
C31D P1D C25D 99.9(5) . . ?
C31D P1D C24D 106.1(5) . . ?
C25D P1D C24D 106.5(5) . . ?
C31D P1D Pt4 116.4(4) . . ?
C25D P1D Pt4 113.0(4) . . ?
C24D P1D Pt4 113.7(4) . . ?
N1A Pt1 C1A 82.2(4) . . ?
N1A Pt1 N2A 76.9(3) . . ?
C1A Pt1 N2A 158.9(4) . . ?
N1A Pt1 P1A 176.2(2) . . ?
C1A Pt1 P1A 95.3(3) . . ?
N2A Pt1 P1A 105.7(2) . . ?
C1B Pt2 N1B 81.6(4) . . ?
C1B Pt2 N2B 159.0(4) . . ?
N1B Pt2 N2B 77.8(4) . . ?
C1B Pt2 P1B 95.8(3) . . ?
N1B Pt2 P1B 172.2(2) . . ?
N2B Pt2 P1B 105.1(3) . . ?
N1C Pt3 C1C 81.9(4) . . ?
N1C Pt3 N2C 77.9(3) . . ?
C1C Pt3 N2C 159.6(4) . . ?
N1C Pt3 P1C 173.2(2) . . ?
C1C Pt3 P1C 96.6(3) . . ?
N2C Pt3 P1C 103.9(2) . . ?
N1D Pt4 C1D 81.7(4) . . ?
N1D Pt4 N2D 78.1(4) . . ?
C1D Pt4 N2D 159.6(4) . . ?
N1D Pt4 P1D 171.8(2) . . ?
C1D Pt4 P1D 96.5(3) . . ?
N2D Pt4 P1D 103.9(3) . . ?
H5A O5 H5B 108.4 . . ?
O1C Cl1C O3C 111.2(15) . . ?
O1C Cl1C O4C 110.2(15) . . ?
O3C Cl1C O4C 108.7(15) . . ?
O1C Cl1C O2C 109.0(15) . . ?
O3C Cl1C O2C 109.7(15) . . ?
O4C Cl1C O2C 108.1(15) . . ?
O1F Cl1F O3F 113.7(12) . . ?
O1F Cl1F O4F 111.6(12) . . ?
O3F Cl1F O4F 108.6(11) . . ?
O1F Cl1F O2F 106.0(11) . . ?
O3F Cl1F O2F 109.5(12) . . ?
O4F Cl1F O2F 107.1(11) . . ?
N3A C37A C38A 176.8(16) . . ?
C37A C38A H38A 109.5 . . ?
C37A C38A H38B 109.4 . . ?
H38A C38A H38B 109.5 . . ?
C37A C38A H38C 109.6 . . ?
H38A C38A H38C 109.5 . . ?
H38B C38A H38C 109.5 . . ?
N3B C37B C38B 174.5(19) . . ?
C37B C38B H38D 109.4 . . ?
C37B C38B H38E 109.3 . . ?
H38D C38B H38E 109.5 . . ?
C37B C38B H38F 109.7 . . ?
H38D C38B H38F 109.5 . . ?
H38E C38B H38F 109.5 . . ?
N3C C37C C38C 177(2) . . ?
C37C C38C H38G 109.3 . . ?
C37C C38C H38H 109.3 . . ?
H38G C38C H38H 109.5 . . ?
C37C C38C H38I 109.7 . . ?
H38G C38C H38I 109.5 . . ?
H38H C38C H38I 109.5 . . ?
N3D C37D C38D 173.8(19) . . ?
C37D C38D H38J 109.2 . . ?
C37D C38D H38K 109.5 . . ?
H38J C38D H38K 109.5 . . ?
C37D C38D H38L 109.8 . . ?
H38J C38D H38L 109.5 . . ?
H38K C38D H38L 109.5 . . ?
N3E C37E C38E 175(2) . . ?
C37E C38E H38M 108.9 . . ?
C37E C38E H38N 109.8 . . ?
H38M C38E H38N 109.5 . . ?
C37E C38E H38O 109.7 . . ?
H38M C38E H38O 109.5 . . ?
H38N C38E H38O 109.5 . . ?

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 0.059 0.305 0.163 200 57 ' '
2 -0.078 0.291 0.722 131 39 ' '
3 -0.059 0.805 0.837 199 57 ' '
4 0.078 0.791 0.278 131 39 ' '
5 0.098 0.802 0.531 24 3 ' '
6 0.237 0.563 0.333 7 1 ' '
7 0.472 0.950 0.647 10 1 ' '
8 0.528 0.450 0.353 10 1 ' '
9 0.763 0.063 0.667 7 1 ' '
10 0.901 0.302 0.469 24 3 ' '
_platon_squeeze_details          
;
;

_refine_diff_density_max         1.888
_refine_diff_density_min         -2.917
_refine_diff_density_rms         0.150

####################################################################### 
# 
# 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_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1830654'
_audit_update_record             
;
2018-03-18 deposited with the CCDC.
2018-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C74 H71 Cl11 N4 O2 P2 Pt2'
_chemical_formula_sum            'C74 H71 Cl11 N4 O2 P2 Pt2'
_chemical_formula_weight         1890.41

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'
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'
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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   17.8626(6)
_cell_length_b                   18.8915(6)
_cell_length_c                   22.3609(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7545.7(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9653
_cell_measurement_theta_min      2.4260
_cell_measurement_theta_max      25.5090

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_F_000             3728
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    4.183
_shelx_estimated_absorpt_T_min   0.387
_shelx_estimated_absorpt_T_max   0.488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.63311
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   SADABS,Bruker,2000
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27064
_diffrn_reflns_av_unetI/netI     0.0723
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.280
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_point_group_measured_fraction_full 0.974
_reflns_number_total             12938
_reflns_number_gt                10821
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.781
_reflns_Friedel_fraction_max     0.943
_reflns_Friedel_fraction_full    0.943

_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.
;

_computing_data_collection       SMART,(Bruker,2000)
_computing_cell_refinement       SMART
_computing_data_reduction        SAINT(Bruker,2000)
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0433P)²+2.8086P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 4004 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.017(5)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         12938
_refine_ls_number_parameters     860
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0434
_refine_ls_wR_factor_ref         0.0946
_refine_ls_wR_factor_gt          0.0873
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_restrained_S_all      1.002
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000

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
C1 C 0.7210(6) 1.0291(7) 0.2814(5) 0.037(3) Uani 1 1 d . . . . .
C2 C 0.9700(6) 0.8944(6) 0.2281(5) 0.039(3) Uani 1 1 d . . . . .
C3 C 0.6771(7) 1.0509(6) 0.2324(6) 0.042(3) Uani 1 1 d . . . . .
H3 H 0.700114 1.071990 0.199592 0.050 Uiso 1 1 calc R U . . .
C4 C 0.5994(7) 1.0413(7) 0.2321(6) 0.051(3) Uani 1 1 d . . . . .
H4 H 0.571299 1.055570 0.199254 0.061 Uiso 1 1 calc R U . . .
C5 C 0.5643(7) 1.0105(7) 0.2809(6) 0.051(4) Uani 1 1 d . . . . .
H5 H 0.512733 1.003951 0.280640 0.061 Uiso 1 1 calc R U . . .
C6 C 0.6054(7) 0.9898(8) 0.3296(6) 0.049(4) Uani 1 1 d . . . . .
H6 H 0.581824 0.970475 0.362924 0.059 Uiso 1 1 calc R U . . .
C7 C 0.6825(7) 0.9978(7) 0.3288(6) 0.043(3) Uani 1 1 d . . . . .
C8 C 0.7295(7) 0.9726(7) 0.3808(5) 0.040(3) Uani 1 1 d . . . . .
C9 C 0.7067(8) 0.9394(7) 0.4321(5) 0.046(3) Uani 1 1 d . . . . .
H9 H 0.656458 0.928739 0.438164 0.055 Uiso 1 1 calc R U . . .
C10 C 0.7583(9) 0.9225(8) 0.4737(6) 0.057(4) Uani 1 1 d . . . . .
H10 H 0.743397 0.899094 0.508306 0.068 Uiso 1 1 calc R U . . .
C11 C 0.8347(8) 0.9398(7) 0.4659(5) 0.045(3) Uani 1 1 d . . . . .
H11 H 0.869964 0.928868 0.495066 0.054 Uiso 1 1 calc R U . . .
C12 C 0.8549(8) 0.9730(7) 0.4140(4) 0.041(3) Uani 1 1 d . . . . .
C13 C 0.9309(7) 0.9918(7) 0.3966(5) 0.040(3) Uani 1 1 d . . . . .
C14 C 0.9919(8) 0.9867(8) 0.4355(5) 0.051(4) Uani 1 1 d . . . . .
H14 H 0.984352 0.970845 0.474444 0.061 Uiso 1 1 calc R U . . .
C15 C 1.0624(7) 1.0046(7) 0.4172(5) 0.040(3) Uani 1 1 d . . . . .
C16 C 1.0726(7) 1.0253(7) 0.3576(5) 0.038(3) Uani 1 1 d . . . . .
C17 C 1.0109(6) 1.0288(6) 0.3214(5) 0.033(3) Uani 1 1 d . . . . .
H17 H 1.018492 1.040315 0.281461 0.039 Uiso 1 1 calc R U . . .
C18 C 1.1300(8) 1.0050(9) 0.4591(6) 0.065(4) Uani 1 1 d . . . . .
H18A H 1.121398 1.038130 0.491554 0.077 Uiso 1 1 calc R U . . .
H18B H 1.136830 0.958270 0.476278 0.077 Uiso 1 1 calc R U . . .
C19 C 1.1990(8) 1.0260(8) 0.4253(6) 0.056(4) Uani 1 1 d . . . . .
H19 H 1.245233 1.026518 0.448870 0.067 Uiso 1 1 calc R U . . .
C20 C 1.2029(8) 0.9843(8) 0.3681(7) 0.057(4) Uani 1 1 d . . . . .
H20A H 1.180184 0.937747 0.370481 0.068 Uiso 1 1 calc R U . . .
H20B H 1.252633 0.981843 0.350721 0.068 Uiso 1 1 calc R U . . .
C21 C 1.1515(7) 1.0419(6) 0.3394(5) 0.043(3) Uani 1 1 d . . . . .
H21 H 1.159826 1.052366 0.297041 0.051 Uiso 1 1 calc R U . . .
C22 C 1.1859(8) 1.0938(8) 0.3847(6) 0.056(4) Uani 1 1 d . . . . .
C23 C 1.2599(9) 1.1241(11) 0.3645(8) 0.090(6) Uani 1 1 d . . . . .
H23A H 1.291090 1.086673 0.349577 0.136 Uiso 1 1 calc R U . . .
H23B H 1.284146 1.146681 0.397682 0.136 Uiso 1 1 calc R U . . .
H23C H 1.251387 1.158149 0.333367 0.136 Uiso 1 1 calc R U . . .
C24 C 1.1380(11) 1.1543(8) 0.4112(7) 0.083(5) Uani 1 1 d . . . . .
H24A H 1.168872 1.184045 0.435674 0.125 Uiso 1 1 calc R U . . .
H24B H 1.098447 1.134532 0.435024 0.125 Uiso 1 1 calc R U . . .
H24C H 1.116797 1.181762 0.379274 0.125 Uiso 1 1 calc R U . . .
C25 C 1.0154(8) 0.9265(7) 0.1852(6) 0.049(4) Uani 1 1 d . . . . .
H25 H 0.994238 0.948373 0.151998 0.058 Uiso 1 1 calc R U . . .
C26 C 1.0932(8) 0.9253(8) 0.1926(7) 0.059(4) Uani 1 1 d . . . . .
H26 H 1.123121 0.947506 0.164190 0.071 Uiso 1 1 calc R U . . .
C27 C 1.1270(8) 0.8925(8) 0.2406(7) 0.062(4) Uani 1 1 d . . . . .
H27 H 1.178925 0.891570 0.244050 0.074 Uiso 1 1 calc R U . . .
C28 C 1.0830(8) 0.8614(7) 0.2829(7) 0.057(4) Uani 1 1 d . . . . .
H28 H 1.105101 0.838212 0.315086 0.068 Uiso 1 1 calc R U . . .
C29 C 1.0059(7) 0.8641(6) 0.2786(5) 0.039(3) Uani 1 1 d . . . . .
C30 C 0.9570(9) 0.8335(7) 0.3247(6) 0.047(4) Uani 1 1 d . . . . .
C31 C 0.9772(10) 0.8020(8) 0.3792(6) 0.063(4) Uani 1 1 d . . . . .
H31 H 1.027176 0.799332 0.390693 0.075 Uiso 1 1 calc R U . . .
C32 C 0.9209(11) 0.7746(8) 0.4161(6) 0.066(5) Uani 1 1 d . . . . .
H32 H 0.933089 0.753854 0.452504 0.079 Uiso 1 1 calc R U . . .
C33 C 0.8489(10) 0.7785(7) 0.3986(5) 0.055(4) Uani 1 1 d . . . . .
H33 H 0.812058 0.760060 0.423444 0.066 Uiso 1 1 calc R U . . .
C34 C 0.8281(9) 0.8087(7) 0.3456(5) 0.049(3) Uani 1 1 d . . . . .
C35 C 0.7530(8) 0.8144(7) 0.3184(5) 0.042(3) Uani 1 1 d . . . . .
C36 C 0.6920(9) 0.7807(8) 0.3424(6) 0.059(4) Uani 1 1 d . . . . .
H36 H 0.697221 0.755395 0.377820 0.071 Uiso 1 1 calc R U . . .
C37 C 0.6235(8) 0.7837(8) 0.3150(6) 0.056(4) Uani 1 1 d . . . . .
C38 C 0.6171(7) 0.8228(7) 0.2625(6) 0.048(3) Uani 1 1 d . . . . .
C39 C 0.6815(7) 0.8558(6) 0.2406(5) 0.041(3) Uani 1 1 d . . . . .
H39 H 0.677045 0.883112 0.206140 0.049 Uiso 1 1 calc R U . . .
C40 C 0.5556(10) 0.7439(10) 0.3373(8) 0.082(5) Uani 1 1 d . . . . .
H40A H 0.542354 0.760461 0.376947 0.099 Uiso 1 1 calc R U . . .
H40B H 0.566935 0.693804 0.339796 0.099 Uiso 1 1 calc R U . . .
C41 C 0.4892(9) 0.7555(9) 0.2944(7) 0.070(4) Uani 1 1 d . . . . .
H41 H 0.442652 0.731735 0.305951 0.084 Uiso 1 1 calc R U . . .
C42 C 0.4817(9) 0.8364(9) 0.2818(7) 0.073(5) Uani 1 1 d . . . . .
H42A H 0.433411 0.850672 0.266004 0.088 Uiso 1 1 calc R U . . .
H42B H 0.497340 0.866591 0.314582 0.088 Uiso 1 1 calc R U . . .
C43 C 0.5428(7) 0.8237(8) 0.2334(7) 0.056(4) Uani 1 1 d . . . . .
H43 H 0.538878 0.853031 0.197448 0.067 Uiso 1 1 calc R U . . .
C44 C 0.5126(9) 0.7456(8) 0.2272(8) 0.072(5) Uani 1 1 d . . . . .
C45 C 0.4450(10) 0.7425(11) 0.1856(8) 0.097(7) Uani 1 1 d . . . . .
H45A H 0.461427 0.746433 0.144834 0.146 Uiso 1 1 calc R U . . .
H45B H 0.411569 0.780771 0.194706 0.146 Uiso 1 1 calc R U . . .
H45C H 0.419435 0.698238 0.191007 0.146 Uiso 1 1 calc R U . . .
C46 C 0.5693(9) 0.6864(9) 0.2129(10) 0.106(7) Uani 1 1 d . . . . .
H46A H 0.546918 0.641218 0.220984 0.159 Uiso 1 1 calc R U . . .
H46B H 0.613008 0.692224 0.237442 0.159 Uiso 1 1 calc R U . . .
H46C H 0.583261 0.688972 0.171541 0.159 Uiso 1 1 calc R U . . .
C47 C 0.8088(6) 1.1665(6) 0.1906(5) 0.033(3) Uani 1 1 d . . . . .
C48 C 0.7670(7) 1.1991(7) 0.2354(6) 0.049(3) Uani 1 1 d . . . . .
H48 H 0.763514 1.178614 0.273055 0.059 Uiso 1 1 calc R U . . .
C49 C 0.7301(7) 1.2632(7) 0.2232(8) 0.061(4) Uani 1 1 d . . . . .
H49 H 0.702019 1.285270 0.252860 0.073 Uiso 1 1 calc R U . . .
C50 C 0.7355(8) 1.2932(8) 0.1677(8) 0.060(4) Uani 1 1 d . . . . .
H50 H 0.710169 1.335180 0.159881 0.072 Uiso 1 1 calc R U . . .
C51 C 0.7781(8) 1.2619(8) 0.1227(7) 0.054(4) Uani 1 1 d . . . . .
H51 H 0.782114 1.282305 0.085021 0.065 Uiso 1 1 calc R U . . .
C52 C 0.8140(7) 1.1999(7) 0.1364(5) 0.044(3) Uani 1 1 d . . . . .
H52 H 0.843617 1.179143 0.107064 0.052 Uiso 1 1 calc R U . . .
C53 C 1.0092(7) 1.0967(6) 0.1620(5) 0.040(3) Uani 1 1 d . . . . .
H53 H 0.996701 1.067314 0.130150 0.048 Uiso 1 1 calc R U . . .
C54 C 1.0834(8) 1.1206(9) 0.1693(7) 0.065(4) Uani 1 1 d . . . . .
H54 H 1.120090 1.105754 0.142542 0.077 Uiso 1 1 calc R U . . .
C55 C 1.1021(9) 1.1647(8) 0.2146(8) 0.064(4) Uani 1 1 d . . . . .
H55 H 1.151798 1.177991 0.220032 0.076 Uiso 1 1 calc R U . . .
C56 C 1.0471(9) 1.1902(8) 0.2529(7) 0.062(4) Uani 1 1 d . . . . .
H56 H 1.059302 1.222964 0.282405 0.074 Uiso 1 1 calc R U . . .
C57 C 0.9743(7) 1.1668(7) 0.2471(5) 0.041(3) Uani 1 1 d . . . . .
H57 H 0.937429 1.183714 0.272688 0.049 Uiso 1 1 calc R U . . .
C58 C 0.9558(6) 1.1173(6) 0.2023(5) 0.035(3) Uani 1 1 d . . . . .
C59 C 0.8917(6) 0.9015(6) 0.0803(5) 0.035(3) Uani 1 1 d . . . . .
C60 C 0.9290(8) 0.8378(7) 0.0851(6) 0.051(4) Uani 1 1 d . . . . .
H60 H 0.928984 0.814377 0.121712 0.062 Uiso 1 1 calc R U . . .
C61 C 0.9663(10) 0.8078(9) 0.0377(7) 0.070(5) Uani 1 1 d . . . . .
H61 H 0.990265 0.764384 0.041531 0.084 Uiso 1 1 calc R U . . .
C62 C 0.9670(9) 0.8449(9) -0.0168(7) 0.067(5) Uani 1 1 d . . . . .
H62 H 0.991020 0.825596 -0.049884 0.081 Uiso 1 1 calc R U . . .
C63 C 0.9328(10) 0.9085(11) -0.0213(7) 0.078(5) Uani 1 1 d . . . . .
H63 H 0.935450 0.933508 -0.057074 0.094 Uiso 1 1 calc R U . . .
C64 C 0.8943(8) 0.9366(8) 0.0261(5) 0.056(4) Uani 1 1 d . . . . .
H64 H 0.869618 0.979698 0.021779 0.067 Uiso 1 1 calc R U . . .
C65 C 0.7438(7) 0.9120(7) 0.1110(5) 0.035(3) Uani 1 1 d . . . . .
C66 C 0.7301(8) 0.8405(8) 0.1005(6) 0.050(4) Uani 1 1 d . . . . .
H66 H 0.768386 0.808062 0.107021 0.060 Uiso 1 1 calc R U . . .
C67 C 0.6623(9) 0.8165(8) 0.0807(7) 0.065(4) Uani 1 1 d . . . . .
H67 H 0.654583 0.768408 0.074570 0.078 Uiso 1 1 calc R U . . .
C68 C 0.6056(8) 0.8640(9) 0.0701(6) 0.059(4) Uani 1 1 d . . . . .
H68 H 0.560240 0.847898 0.054849 0.070 Uiso 1 1 calc R U . . .
C69 C 0.6147(8) 0.9351(8) 0.0815(6) 0.057(4) Uani 1 1 d . . . . .
H69 H 0.575179 0.966459 0.076149 0.069 Uiso 1 1 calc R U . . .
C70 C 0.6854(7) 0.9597(8) 0.1015(5) 0.047(3) Uani 1 1 d . . . . .
H70 H 0.692844 1.007784 0.108232 0.057 Uiso 1 1 calc R U . . .
C71 C 0.8414(7) 1.0327(6) 0.1372(4) 0.033(3) Uani 1 1 d . . . . .
H71A H 0.794773 1.049610 0.120242 0.040 Uiso 1 1 calc R U . . .
H71B H 0.880645 1.043797 0.108718 0.040 Uiso 1 1 calc R U . . .
C72 C 0.809(3) 0.259(2) 0.3973(19) 0.30(3) Uani 1 1 d . . . . .
H72 H 0.807980 0.280535 0.357333 0.363 Uiso 1 1 calc R U . . .
C73 C 0.4030(10) 0.9333(11) 0.4776(8) 0.087(6) Uani 1 1 d . . . . .
H73 H 0.448384 0.906609 0.487606 0.104 Uiso 1 1 calc R U . . .
C74 C 0.3482(11) 0.0104(11) 0.1531(8) 0.097(6) Uani 1 1 d . . . . .
H74 H 0.394883 0.032409 0.139420 0.117 Uiso 1 1 calc R U . . .
Cl1 Cl 0.9346(2) 0.1427(2) 0.01222(17) 0.0655(11) Uani 1 1 d . . . . .
Cl2 Cl 0.4877(3) 0.0911(3) 0.07826(18) 0.0803(13) Uani 1 1 d . . . . .
Cl3 Cl 0.8163(7) 0.3152(6) 0.4494(5) 0.234(5) Uani 1 1 d . . . . .
Cl4 Cl 0.7214(7) 0.2045(12) 0.4156(6) 0.383(14) Uani 1 1 d . . . . .
Cl5 Cl 0.8697(8) 0.1854(6) 0.4032(4) 0.236(5) Uani 1 1 d . . . . .
Cl6 Cl 0.3251(4) 0.8795(4) 0.4888(3) 0.127(2) Uani 1 1 d . . . . .
Cl7 Cl 0.3944(3) 1.0064(3) 0.5272(2) 0.1022(17) Uani 1 1 d . . . . .
Cl8 Cl 0.4097(3) 0.9638(5) 0.4060(2) 0.129(3) Uani 1 1 d . . . . .
Cl9 Cl 0.3458(7) 0.0024(8) 0.2255(3) 0.272(7) Uani 1 1 d . . . . .
Cl10 Cl 0.2786(5) 0.0449(12) 0.1239(8) 0.427(15) Uani 1 1 d . . . . .
Cl11 Cl 0.3380(15) -0.0705(9) 0.1263(5) 0.471(17) Uani 1 1 d . . . . .
N1 N 0.8018(6) 0.9886(5) 0.3725(4) 0.037(3) Uani 1 1 d . . . . .
N2 N 0.9404(6) 1.0169(5) 0.3392(4) 0.033(2) Uani 1 1 d . . . . .
N3 N 0.8841(7) 0.8373(5) 0.3106(4) 0.045(3) Uani 1 1 d . . . . .
N4 N 0.7498(5) 0.8506(5) 0.2663(4) 0.038(2) Uani 1 1 d . . . . .
O1 O 0.6523(7) 0.1380(7) 0.0968(5) 0.103(4) Uani 1 1 d . . . . .
H1B H 0.660448 0.145728 0.133660 0.154 Uiso 1 1 d R U . . .
H1A H 0.613138 0.112828 0.093010 0.154 Uiso 1 1 d R U . . .
O2 O 0.8610(11) 0.2965(9) 0.9845(7) 0.172(8) Uani 1 1 d . . . . .
H2A H 0.864724 0.338390 0.997998 0.258 Uiso 1 1 d R U . . .
H2B H 0.899494 0.272810 0.994498 0.258 Uiso 1 1 d R U . . .
P1 P 0.85988(17) 1.08514(15) 0.20606(12) 0.0293(6) Uani 1 1 d . . . . .
P2 P 0.83510(19) 0.93483(16) 0.14234(12) 0.0318(7) Uani 1 1 d . . . . .
Pt1 Pt 0.83320(2) 1.03118(2) 0.29329(2) 0.03121(12) Uani 1 1 d . . . . .
Pt2 Pt 0.85704(3) 0.88531(2) 0.23252(2) 0.03381(13) 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
C1 C7 1.394(16) . ?
C1 C3 1.410(17) . ?
C1 Pt1 2.023(12) . ?
C2 C25 1.395(17) . ?
C2 C29 1.419(15) . ?
C2 Pt2 2.027(12) . ?
C3 C4 1.399(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(18) . ?
C4 H4 0.9300 . ?
C5 C6 1.371(18) . ?
C5 H5 0.9300 . ?
C6 C7 1.385(17) . ?
C6 H6 0.9300 . ?
C7 C8 1.511(18) . ?
C8 N1 1.340(15) . ?
C8 C9 1.370(17) . ?
C9 C10 1.349(19) . ?
C9 H9 0.9300 . ?
C10 C11 1.41(2) . ?
C10 H10 0.9300 . ?
C11 C12 1.368(15) . ?
C11 H11 0.9300 . ?
C12 N1 1.360(15) . ?
C12 C13 1.457(18) . ?
C13 N2 1.380(14) . ?
C13 C14 1.396(17) . ?
C14 C15 1.368(18) . ?
C14 H14 0.9300 . ?
C15 C16 1.401(16) . ?
C15 C18 1.529(18) . ?
C16 C17 1.368(15) . ?
C16 C21 1.500(16) . ?
C17 N2 1.339(14) . ?
C17 H17 0.9300 . ?
C18 C19 1.500(19) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.50(2) . ?
C19 C22 1.59(2) . ?
C19 H19 0.9800 . ?
C20 C21 1.562(17) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.536(17) . ?
C21 H21 0.9800 . ?
C22 C23 1.51(2) . ?
C22 C24 1.55(2) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.399(19) . ?
C25 H25 0.9300 . ?
C26 C27 1.379(19) . ?
C26 H26 0.9300 . ?
C27 C28 1.363(19) . ?
C27 H27 0.9300 . ?
C28 C29 1.382(18) . ?
C28 H28 0.9300 . ?
C29 C30 1.470(18) . ?
C30 N3 1.343(17) . ?
C30 C31 1.404(19) . ?
C31 C32 1.40(2) . ?
C31 H31 0.9300 . ?
C32 C33 1.35(2) . ?
C32 H32 0.9300 . ?
C33 C34 1.366(17) . ?
C33 H33 0.9300 . ?
C34 N3 1.380(16) . ?
C34 C35 1.477(19) . ?
C35 N4 1.352(15) . ?
C35 C36 1.371(19) . ?
C36 C37 1.37(2) . ?
C36 H36 0.9300 . ?
C37 C38 1.390(18) . ?
C37 C40 1.512(19) . ?
C38 C39 1.397(16) . ?
C38 C43 1.478(18) . ?
C39 N4 1.353(15) . ?
C39 H39 0.9300 . ?
C40 C41 1.54(2) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.56(2) . ?
C41 C44 1.57(2) . ?
C41 H41 0.9800 . ?
C42 C43 1.556(18) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.58(2) . ?
C43 H43 0.9800 . ?
C44 C45 1.53(2) . ?
C44 C46 1.54(2) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 C52 1.369(16) . ?
C47 C48 1.392(16) . ?
C47 P1 1.820(12) . ?
C48 C49 1.406(19) . ?
C48 H48 0.9300 . ?
C49 C50 1.37(2) . ?
C49 H49 0.9300 . ?
C50 C51 1.39(2) . ?
C50 H50 0.9300 . ?
C51 C52 1.370(18) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
C53 C58 1.369(16) . ?
C53 C54 1.409(19) . ?
C53 H53 0.9300 . ?
C54 C55 1.35(2) . ?
C54 H54 0.9300 . ?
C55 C56 1.39(2) . ?
C55 H55 0.9300 . ?
C56 C57 1.379(18) . ?
C56 H56 0.9300 . ?
C57 C58 1.410(16) . ?
C57 H57 0.9300 . ?
C58 P1 1.819(11) . ?
C59 C60 1.380(18) . ?
C59 C64 1.382(17) . ?
C59 P2 1.829(12) . ?
C60 C61 1.374(19) . ?
C60 H60 0.9300 . ?
C61 C62 1.41(2) . ?
C61 H61 0.9300 . ?
C62 C63 1.35(2) . ?
C62 H62 0.9300 . ?
C63 C64 1.37(2) . ?
C63 H63 0.9300 . ?
C64 H64 0.9300 . ?
C65 C66 1.392(18) . ?
C65 C70 1.396(18) . ?
C65 P2 1.826(12) . ?
C66 C67 1.367(19) . ?
C66 H66 0.9300 . ?
C67 C68 1.37(2) . ?
C67 H67 0.9300 . ?
C68 C69 1.38(2) . ?
C68 H68 0.9300 . ?
C69 C70 1.418(18) . ?
C69 H69 0.9300 . ?
C70 H70 0.9300 . ?
C71 P2 1.856(11) . ?
C71 P1 1.860(11) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C72 Cl3 1.58(3) . ?
C72 Cl5 1.77(4) . ?
C72 Cl4 1.92(5) . ?
C72 H72 0.9800 . ?
C73 Cl8 1.706(19) . ?
C73 Cl6 1.74(2) . ?
C73 Cl7 1.777(19) . ?
C73 H73 0.9800 . ?
C74 Cl10 1.55(2) . ?
C74 Cl9 1.626(18) . ?
C74 Cl11 1.65(2) . ?
C74 H74 0.9800 . ?
Cl10 Cl11 2.43(3) . ?
N1 Pt1 2.024(9) . ?
N2 Pt1 2.189(9) . ?
N3 Pt2 2.027(9) . ?
N4 Pt2 2.161(10) . ?
O1 H1B 0.8501 . ?
O1 H1A 0.8500 . ?
O2 H2A 0.8500 . ?
O2 H2B 0.8500 . ?
P1 Pt1 2.252(3) . ?
P2 Pt2 2.257(3) . ?
Pt1 Pt2 3.1019(6) . ?

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
C7 C1 C3 116.1(11) . . ?
C7 C1 Pt1 113.4(9) . . ?
C3 C1 Pt1 130.4(9) . . ?
C25 C2 C29 117.3(11) . . ?
C25 C2 Pt2 130.5(9) . . ?
C29 C2 Pt2 112.2(9) . . ?
C4 C3 C1 121.1(13) . . ?
C4 C3 H3 119.5 . . ?
C1 C3 H3 119.5 . . ?
C5 C4 C3 120.0(13) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 120.2(12) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C7 119.3(13) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 H6 120.3 . . ?
C6 C7 C1 123.2(13) . . ?
C6 C7 C8 120.5(12) . . ?
C1 C7 C8 116.4(11) . . ?
N1 C8 C9 120.4(12) . . ?
N1 C8 C7 111.0(10) . . ?
C9 C8 C7 128.6(12) . . ?
C10 C9 C8 118.9(13) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C9 C10 C11 121.3(12) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C12 C11 C10 117.8(13) . . ?
C12 C11 H11 121.1 . . ?
C10 C11 H11 121.1 . . ?
N1 C12 C11 119.6(13) . . ?
N1 C12 C13 114.5(9) . . ?
C11 C12 C13 125.8(12) . . ?
N2 C13 C14 120.5(11) . . ?
N2 C13 C12 116.5(10) . . ?
C14 C13 C12 122.9(10) . . ?
C15 C14 C13 121.0(11) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 C16 118.3(11) . . ?
C14 C15 C18 123.1(10) . . ?
C16 C15 C18 118.7(11) . . ?
C17 C16 C15 118.1(11) . . ?
C17 C16 C21 125.9(10) . . ?
C15 C16 C21 115.9(10) . . ?
N2 C17 C16 125.0(10) . . ?
N2 C17 H17 117.5 . . ?
C16 C17 H17 117.5 . . ?
C19 C18 C15 109.9(10) . . ?
C19 C18 H18A 109.7 . . ?
C15 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
C15 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
C18 C19 C20 109.2(12) . . ?
C18 C19 C22 112.4(12) . . ?
C20 C19 C22 86.7(10) . . ?
C18 C19 H19 115.1 . . ?
C20 C19 H19 115.1 . . ?
C22 C19 H19 115.1 . . ?
C19 C20 C21 87.5(10) . . ?
C19 C20 H20A 114.1 . . ?
C21 C20 H20A 114.1 . . ?
C19 C20 H20B 114.1 . . ?
C21 C20 H20B 114.1 . . ?
H20A C20 H20B 111.3 . . ?
C16 C21 C22 109.4(11) . . ?
C16 C21 C20 107.3(11) . . ?
C22 C21 C20 86.5(9) . . ?
C16 C21 H21 116.6 . . ?
C22 C21 H21 116.6 . . ?
C20 C21 H21 116.6 . . ?
C23 C22 C21 113.3(13) . . ?
C23 C22 C24 108.6(14) . . ?
C21 C22 C24 120.1(12) . . ?
C23 C22 C19 110.4(12) . . ?
C21 C22 C19 85.5(10) . . ?
C24 C22 C19 117.3(12) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C2 C25 C26 119.3(13) . . ?
C2 C25 H25 120.4 . . ?
C26 C25 H25 120.4 . . ?
C27 C26 C25 122.3(14) . . ?
C27 C26 H26 118.8 . . ?
C25 C26 H26 118.8 . . ?
C28 C27 C26 118.7(13) . . ?
C28 C27 H27 120.6 . . ?
C26 C27 H27 120.6 . . ?
C27 C28 C29 120.7(13) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C28 C29 C2 121.5(12) . . ?
C28 C29 C30 121.9(12) . . ?
C2 C29 C30 116.6(11) . . ?
N3 C30 C31 118.4(14) . . ?
N3 C30 C29 113.0(11) . . ?
C31 C30 C29 128.6(14) . . ?
C32 C31 C30 118.9(14) . . ?
C32 C31 H31 120.5 . . ?
C30 C31 H31 120.6 . . ?
C33 C32 C31 119.7(12) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C32 C33 C34 122.4(15) . . ?
C32 C33 H33 118.8 . . ?
C34 C33 H33 118.8 . . ?
C33 C34 N3 117.2(14) . . ?
C33 C34 C35 129.4(14) . . ?
N3 C34 C35 113.4(10) . . ?
N4 C35 C36 122.6(13) . . ?
N4 C35 C34 115.5(12) . . ?
C36 C35 C34 121.8(12) . . ?
C37 C36 C35 121.0(12) . . ?
C37 C36 H36 119.5 . . ?
C35 C36 H36 119.5 . . ?
C36 C37 C38 118.2(12) . . ?
C36 C37 C40 123.3(13) . . ?
C38 C37 C40 118.5(14) . . ?
C37 C38 C39 117.8(13) . . ?
C37 C38 C43 116.8(12) . . ?
C39 C38 C43 125.4(11) . . ?
N4 C39 C38 124.1(11) . . ?
N4 C39 H39 118.0 . . ?
C38 C39 H39 118.0 . . ?
C37 C40 C41 110.0(12) . . ?
C37 C40 H40A 109.7 . . ?
C41 C40 H40A 109.7 . . ?
C37 C40 H40B 109.7 . . ?
C41 C40 H40B 109.7 . . ?
H40A C40 H40B 108.2 . . ?
C40 C41 C42 108.6(15) . . ?
C40 C41 C44 111.9(13) . . ?
C42 C41 C44 88.1(12) . . ?
C40 C41 H41 115.1 . . ?
C42 C41 H41 115.1 . . ?
C44 C41 H41 115.1 . . ?
C43 C42 C41 85.0(11) . . ?
C43 C42 H42A 114.5 . . ?
C41 C42 H42A 114.5 . . ?
C43 C42 H42B 114.5 . . ?
C41 C42 H42B 114.5 . . ?
H42A C42 H42B 111.6 . . ?
C38 C43 C42 109.1(12) . . ?
C38 C43 C44 109.6(12) . . ?
C42 C43 C44 88.1(11) . . ?
C38 C43 H43 115.6 . . ?
C42 C43 H43 115.6 . . ?
C44 C43 H43 115.6 . . ?
C45 C44 C46 111.4(15) . . ?
C45 C44 C41 112.1(13) . . ?
C46 C44 C41 117.3(16) . . ?
C45 C44 C43 111.2(14) . . ?
C46 C44 C43 118.2(12) . . ?
C41 C44 C43 84.0(11) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C52 C47 C48 117.9(12) . . ?
C52 C47 P1 121.5(9) . . ?
C48 C47 P1 120.4(9) . . ?
C47 C48 C49 119.6(13) . . ?
C47 C48 H48 120.2 . . ?
C49 C48 H48 120.2 . . ?
C50 C49 C48 120.0(14) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C50 C51 121.2(13) . . ?
C49 C50 H50 119.4 . . ?
C51 C50 H50 119.4 . . ?
C52 C51 C50 117.2(13) . . ?
C52 C51 H51 121.4 . . ?
C50 C51 H51 121.4 . . ?
C47 C52 C51 124.1(13) . . ?
C47 C52 H52 118.0 . . ?
C51 C52 H52 118.0 . . ?
C58 C53 C54 119.3(12) . . ?
C58 C53 H53 120.4 . . ?
C54 C53 H53 120.4 . . ?
C55 C54 C53 121.1(14) . . ?
C55 C54 H54 119.5 . . ?
C53 C54 H54 119.5 . . ?
C54 C55 C56 120.0(14) . . ?
C54 C55 H55 120.0 . . ?
C56 C55 H55 120.0 . . ?
C57 C56 C55 119.8(14) . . ?
C57 C56 H56 120.1 . . ?
C55 C56 H56 120.1 . . ?
C56 C57 C58 120.1(12) . . ?
C56 C57 H57 119.9 . . ?
C58 C57 H57 119.9 . . ?
C53 C58 C57 119.5(11) . . ?
C53 C58 P1 126.3(9) . . ?
C57 C58 P1 114.2(9) . . ?
C60 C59 C64 118.2(12) . . ?
C60 C59 P2 120.5(9) . . ?
C64 C59 P2 121.2(10) . . ?
C61 C60 C59 122.2(13) . . ?
C61 C60 H60 118.9 . . ?
C59 C60 H60 118.9 . . ?
C60 C61 C62 117.9(15) . . ?
C60 C61 H61 121.0 . . ?
C62 C61 H61 121.0 . . ?
C63 C62 C61 120.2(14) . . ?
C63 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C62 C63 C64 120.9(16) . . ?
C62 C63 H63 119.5 . . ?
C64 C63 H63 119.5 . . ?
C63 C64 C59 120.5(15) . . ?
C63 C64 H64 119.7 . . ?
C59 C64 H64 119.7 . . ?
C66 C65 C70 118.0(12) . . ?
C66 C65 P2 116.8(10) . . ?
C70 C65 P2 125.0(10) . . ?
C67 C66 C65 122.2(14) . . ?
C67 C66 H66 118.9 . . ?
C65 C66 H66 118.9 . . ?
C66 C67 C68 119.5(14) . . ?
C66 C67 H67 120.2 . . ?
C68 C67 H67 120.2 . . ?
C67 C68 C69 121.1(13) . . ?
C67 C68 H68 119.4 . . ?
C69 C68 H68 119.4 . . ?
C68 C69 C70 119.0(14) . . ?
C68 C69 H69 120.5 . . ?
C70 C69 H69 120.5 . . ?
C65 C70 C69 120.1(14) . . ?
C65 C70 H70 119.9 . . ?
C69 C70 H70 119.9 . . ?
P2 C71 P1 119.4(5) . . ?
P2 C71 H71A 107.5 . . ?
P1 C71 H71A 107.5 . . ?
P2 C71 H71B 107.5 . . ?
P1 C71 H71B 107.5 . . ?
H71A C71 H71B 107.0 . . ?
Cl3 C72 Cl5 115(2) . . ?
Cl3 C72 Cl4 106(3) . . ?
Cl5 C72 Cl4 93(3) . . ?
Cl3 C72 H72 113.7 . . ?
Cl5 C72 H72 113.7 . . ?
Cl4 C72 H72 113.7 . . ?
Cl8 C73 Cl6 112.8(10) . . ?
Cl8 C73 Cl7 109.2(12) . . ?
Cl6 C73 Cl7 107.1(10) . . ?
Cl8 C73 H73 109.2 . . ?
Cl6 C73 H73 109.2 . . ?
Cl7 C73 H73 109.2 . . ?
Cl10 C74 Cl9 115.9(15) . . ?
Cl10 C74 Cl11 98.5(16) . . ?
Cl9 C74 Cl11 105.7(13) . . ?
Cl10 C74 H74 111.9 . . ?
Cl9 C74 H74 111.9 . . ?
Cl11 C74 H74 111.9 . . ?
C74 Cl10 Cl11 42.3(10) . . ?
C74 Cl11 Cl10 39.2(9) . . ?
C8 N1 C12 121.9(10) . . ?
C8 N1 Pt1 118.5(8) . . ?
C12 N1 Pt1 119.4(8) . . ?
C17 N2 C13 116.7(10) . . ?
C17 N2 Pt1 131.5(7) . . ?
C13 N2 Pt1 111.8(8) . . ?
C30 N3 C34 123.3(11) . . ?
C30 N3 Pt2 117.2(9) . . ?
C34 N3 Pt2 119.4(9) . . ?
C35 N4 C39 116.2(11) . . ?
C35 N4 Pt2 114.7(9) . . ?
C39 N4 Pt2 128.9(8) . . ?
H1B O1 H1A 109.5 . . ?
H2A O2 H2B 109.5 . . ?
C58 P1 C47 100.4(5) . . ?
C58 P1 C71 107.8(5) . . ?
C47 P1 C71 101.8(5) . . ?
C58 P1 Pt1 113.0(4) . . ?
C47 P1 Pt1 116.1(4) . . ?
C71 P1 Pt1 116.0(4) . . ?
C65 P2 C59 97.0(5) . . ?
C65 P2 C71 105.4(6) . . ?
C59 P2 C71 105.2(5) . . ?
C65 P2 Pt2 113.5(4) . . ?
C59 P2 Pt2 116.0(4) . . ?
C71 P2 Pt2 117.2(3) . . ?
C1 Pt1 N1 80.4(4) . . ?
C1 Pt1 N2 157.8(4) . . ?
N1 Pt1 N2 77.5(4) . . ?
C1 Pt1 P1 96.0(3) . . ?
N1 Pt1 P1 175.1(3) . . ?
N2 Pt1 P1 106.1(2) . . ?
C1 Pt1 Pt2 93.5(3) . . ?
N1 Pt1 Pt2 93.9(3) . . ?
N2 Pt1 Pt2 88.6(2) . . ?
P1 Pt1 Pt2 89.63(7) . . ?
N3 Pt2 C2 80.9(5) . . ?
N3 Pt2 N4 76.9(4) . . ?
C2 Pt2 N4 157.6(4) . . ?
N3 Pt2 P2 175.5(3) . . ?
C2 Pt2 P2 95.4(4) . . ?
N4 Pt2 P2 106.5(3) . . ?
N3 Pt2 Pt1 93.0(3) . . ?
C2 Pt2 Pt1 94.7(3) . . ?
N4 Pt2 Pt1 89.7(3) . . ?
P2 Pt2 Pt1 89.97(8) . . ?

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
C7 C1 C3 C4 0.2(18) . . . . ?
Pt1 C1 C3 C4 176.6(10) . . . . ?
C1 C3 C4 C5 1(2) . . . . ?
C3 C4 C5 C6 0(2) . . . . ?
C4 C5 C6 C7 -2(2) . . . . ?
C5 C6 C7 C1 3(2) . . . . ?
C5 C6 C7 C8 -177.4(12) . . . . ?
C3 C1 C7 C6 -2(2) . . . . ?
Pt1 C1 C7 C6 -178.9(12) . . . . ?
C3 C1 C7 C8 178.4(11) . . . . ?
Pt1 C1 C7 C8 1.3(15) . . . . ?
C6 C7 C8 N1 -176.8(13) . . . . ?
C1 C7 C8 N1 3.0(17) . . . . ?
C6 C7 C8 C9 1(2) . . . . ?
C1 C7 C8 C9 -179.0(13) . . . . ?
N1 C8 C9 C10 -1(2) . . . . ?
C7 C8 C9 C10 -178.6(13) . . . . ?
C8 C9 C10 C11 1(2) . . . . ?
C9 C10 C11 C12 -1(2) . . . . ?
C10 C11 C12 N1 0.5(19) . . . . ?
C10 C11 C12 C13 -176.8(13) . . . . ?
N1 C12 C13 N2 -5.3(16) . . . . ?
C11 C12 C13 N2 172.0(12) . . . . ?
N1 C12 C13 C14 173.2(12) . . . . ?
C11 C12 C13 C14 -9(2) . . . . ?
N2 C13 C14 C15 -2(2) . . . . ?
C12 C13 C14 C15 179.7(13) . . . . ?
C13 C14 C15 C16 -3(2) . . . . ?
C13 C14 C15 C18 175.5(13) . . . . ?
C14 C15 C16 C17 2.1(19) . . . . ?
C18 C15 C16 C17 -176.1(13) . . . . ?
C14 C15 C16 C21 -177.9(12) . . . . ?
C18 C15 C16 C21 3.8(18) . . . . ?
C15 C16 C17 N2 3(2) . . . . ?
C21 C16 C17 N2 -176.7(11) . . . . ?
C14 C15 C18 C19 179.3(14) . . . . ?
C16 C15 C18 C19 -2.6(19) . . . . ?
C15 C18 C19 C20 -47.5(17) . . . . ?
C15 C18 C19 C22 47.0(17) . . . . ?
C18 C19 C20 C21 85.3(12) . . . . ?
C22 C19 C20 C21 -27.4(10) . . . . ?
C17 C16 C21 C22 129.5(13) . . . . ?
C15 C16 C21 C22 -50.4(15) . . . . ?
C17 C16 C21 C20 -138.1(13) . . . . ?
C15 C16 C21 C20 42.0(15) . . . . ?
C19 C20 C21 C16 -80.9(11) . . . . ?
C19 C20 C21 C22 28.3(10) . . . . ?
C16 C21 C22 C23 -169.4(12) . . . . ?
C20 C21 C22 C23 83.5(13) . . . . ?
C16 C21 C22 C24 -38.8(16) . . . . ?
C20 C21 C22 C24 -145.9(14) . . . . ?
C16 C21 C22 C19 80.3(11) . . . . ?
C20 C21 C22 C19 -26.8(10) . . . . ?
C18 C19 C22 C23 165.2(13) . . . . ?
C20 C19 C22 C23 -85.3(14) . . . . ?
C18 C19 C22 C21 -81.5(13) . . . . ?
C20 C19 C22 C21 27.9(10) . . . . ?
C18 C19 C22 C24 40.1(17) . . . . ?
C20 C19 C22 C24 149.6(13) . . . . ?
C29 C2 C25 C26 2.0(19) . . . . ?
Pt2 C2 C25 C26 -179.8(10) . . . . ?
C2 C25 C26 C27 1(2) . . . . ?
C25 C26 C27 C28 -1(2) . . . . ?
C26 C27 C28 C29 -1(2) . . . . ?
C27 C28 C29 C2 5(2) . . . . ?
C27 C28 C29 C30 -177.6(12) . . . . ?
C25 C2 C29 C28 -4.9(18) . . . . ?
Pt2 C2 C29 C28 176.6(10) . . . . ?
C25 C2 C29 C30 177.3(11) . . . . ?
Pt2 C2 C29 C30 -1.2(13) . . . . ?
C28 C29 C30 N3 -176.0(12) . . . . ?
C2 C29 C30 N3 1.8(16) . . . . ?
C28 C29 C30 C31 4(2) . . . . ?
C2 C29 C30 C31 -178.3(13) . . . . ?
N3 C30 C31 C32 1(2) . . . . ?
C29 C30 C31 C32 -178.6(13) . . . . ?
C30 C31 C32 C33 0(2) . . . . ?
C31 C32 C33 C34 0(2) . . . . ?
C32 C33 C34 N3 -2(2) . . . . ?
C32 C33 C34 C35 176.9(14) . . . . ?
C33 C34 C35 N4 176.9(12) . . . . ?
N3 C34 C35 N4 -4.4(16) . . . . ?
C33 C34 C35 C36 -8(2) . . . . ?
N3 C34 C35 C36 171.0(12) . . . . ?
N4 C35 C36 C37 -2(2) . . . . ?
C34 C35 C36 C37 -176.7(13) . . . . ?
C35 C36 C37 C38 -1(2) . . . . ?
C35 C36 C37 C40 176.1(14) . . . . ?
C36 C37 C38 C39 1(2) . . . . ?
C40 C37 C38 C39 -176.3(14) . . . . ?
C36 C37 C38 C43 178.8(14) . . . . ?
C40 C37 C38 C43 2(2) . . . . ?
C37 C38 C39 N4 1.9(19) . . . . ?
C43 C38 C39 N4 -175.9(12) . . . . ?
C36 C37 C40 C41 -176.8(15) . . . . ?
C38 C37 C40 C41 0(2) . . . . ?
C37 C40 C41 C42 -48.8(17) . . . . ?
C37 C40 C41 C44 46.7(19) . . . . ?
C40 C41 C42 C43 83.8(13) . . . . ?
C44 C41 C42 C43 -28.7(11) . . . . ?
C37 C38 C43 C42 45.3(17) . . . . ?
C39 C38 C43 C42 -137.0(14) . . . . ?
C37 C38 C43 C44 -49.6(16) . . . . ?
C39 C38 C43 C44 128.2(14) . . . . ?
C41 C42 C43 C38 -81.5(14) . . . . ?
C41 C42 C43 C44 28.6(12) . . . . ?
C40 C41 C44 C45 168.7(14) . . . . ?
C42 C41 C44 C45 -82.1(16) . . . . ?
C40 C41 C44 C46 37.8(19) . . . . ?
C42 C41 C44 C46 147.1(14) . . . . ?
C40 C41 C44 C43 -80.9(14) . . . . ?
C42 C41 C44 C43 28.4(11) . . . . ?
C38 C43 C44 C45 -167.5(12) . . . . ?
C42 C43 C44 C45 83.0(14) . . . . ?
C38 C43 C44 C46 -37(2) . . . . ?
C42 C43 C44 C46 -146.3(17) . . . . ?
C38 C43 C44 C41 81.1(12) . . . . ?
C42 C43 C44 C41 -28.5(12) . . . . ?
C52 C47 C48 C49 1.8(19) . . . . ?
P1 C47 C48 C49 177.8(10) . . . . ?
C47 C48 C49 C50 0(2) . . . . ?
C48 C49 C50 C51 -1(2) . . . . ?
C49 C50 C51 C52 0(2) . . . . ?
C48 C47 C52 C51 -3(2) . . . . ?
P1 C47 C52 C51 -178.6(11) . . . . ?
C50 C51 C52 C47 2(2) . . . . ?
C58 C53 C54 C55 -2(2) . . . . ?
C53 C54 C55 C56 -3(2) . . . . ?
C54 C55 C56 C57 4(2) . . . . ?
C55 C56 C57 C58 -0.1(19) . . . . ?
C54 C53 C58 C57 5.6(18) . . . . ?
C54 C53 C58 P1 -172.7(10) . . . . ?
C56 C57 C58 C53 -4.8(18) . . . . ?
C56 C57 C58 P1 173.7(10) . . . . ?
C64 C59 C60 C61 -2(2) . . . . ?
P2 C59 C60 C61 173.7(12) . . . . ?
C59 C60 C61 C62 1(2) . . . . ?
C60 C61 C62 C63 1(3) . . . . ?
C61 C62 C63 C64 -3(3) . . . . ?
C62 C63 C64 C59 2(3) . . . . ?
C60 C59 C64 C63 0(2) . . . . ?
P2 C59 C64 C63 -175.5(12) . . . . ?
C70 C65 C66 C67 1(2) . . . . ?
P2 C65 C66 C67 175.8(11) . . . . ?
C65 C66 C67 C68 1(2) . . . . ?
C66 C67 C68 C69 -3(2) . . . . ?
C67 C68 C69 C70 3(2) . . . . ?
C66 C65 C70 C69 -0.1(18) . . . . ?
P2 C65 C70 C69 -174.8(10) . . . . ?
C68 C69 C70 C65 -2(2) . . . . ?
Cl9 C74 Cl10 Cl11 -112.2(18) . . . . ?
Cl9 C74 Cl11 Cl10 120.1(17) . . . . ?
C9 C8 N1 C12 0.0(19) . . . . ?
C7 C8 N1 C12 178.2(11) . . . . ?
C9 C8 N1 Pt1 175.7(9) . . . . ?
C7 C8 N1 Pt1 -6.1(14) . . . . ?
C11 C12 N1 C8 0.2(18) . . . . ?
C13 C12 N1 C8 177.7(12) . . . . ?
C11 C12 N1 Pt1 -175.5(9) . . . . ?
C13 C12 N1 Pt1 2.1(14) . . . . ?
C16 C17 N2 C13 -7.5(18) . . . . ?
C16 C17 N2 Pt1 171.8(9) . . . . ?
C14 C13 N2 C17 6.7(17) . . . . ?
C12 C13 N2 C17 -174.8(11) . . . . ?
C14 C13 N2 Pt1 -172.8(10) . . . . ?
C12 C13 N2 Pt1 5.7(13) . . . . ?
C31 C30 N3 C34 -3.4(19) . . . . ?
C29 C30 N3 C34 176.4(10) . . . . ?
C31 C30 N3 Pt2 178.5(10) . . . . ?
C29 C30 N3 Pt2 -1.6(14) . . . . ?
C33 C34 N3 C30 3.7(18) . . . . ?
C35 C34 N3 C30 -175.2(11) . . . . ?
C33 C34 N3 Pt2 -178.3(9) . . . . ?
C35 C34 N3 Pt2 2.8(14) . . . . ?
C36 C35 N4 C39 4.1(18) . . . . ?
C34 C35 N4 C39 179.4(11) . . . . ?
C36 C35 N4 Pt2 -171.4(11) . . . . ?
C34 C35 N4 Pt2 3.9(13) . . . . ?
C38 C39 N4 C35 -4.2(18) . . . . ?
C38 C39 N4 Pt2 170.5(9) . . . . ?
C53 C58 P1 C47 -116.8(11) . . . . ?
C57 C58 P1 C47 64.8(9) . . . . ?
C53 C58 P1 C71 -10.7(12) . . . . ?
C57 C58 P1 C71 170.9(8) . . . . ?
C53 C58 P1 Pt1 118.8(10) . . . . ?
C57 C58 P1 Pt1 -59.6(9) . . . . ?
C52 C47 P1 C58 65.1(11) . . . . ?
C48 C47 P1 C58 -110.7(10) . . . . ?
C52 C47 P1 C71 -45.7(11) . . . . ?
C48 C47 P1 C71 138.4(10) . . . . ?
C52 C47 P1 Pt1 -172.7(9) . . . . ?
C48 C47 P1 Pt1 11.5(11) . . . . ?
P2 C71 P1 C58 107.0(7) . . . . ?
P2 C71 P1 C47 -147.9(7) . . . . ?
P2 C71 P1 Pt1 -20.8(9) . . . . ?
C66 C65 P2 C59 61.7(11) . . . . ?
C70 C65 P2 C59 -123.6(11) . . . . ?
C66 C65 P2 C71 169.6(10) . . . . ?
C70 C65 P2 C71 -15.7(11) . . . . ?
C66 C65 P2 Pt2 -60.8(11) . . . . ?
C70 C65 P2 Pt2 114.0(10) . . . . ?
C60 C59 P2 C65 -103.1(11) . . . . ?
C64 C59 P2 C65 72.4(12) . . . . ?
C60 C59 P2 C71 148.8(11) . . . . ?
C64 C59 P2 C71 -35.7(12) . . . . ?
C60 C59 P2 Pt2 17.5(12) . . . . ?
C64 C59 P2 Pt2 -167.1(9) . . . . ?
P1 C71 P2 C65 124.1(7) . . . . ?
P1 C71 P2 C59 -134.0(7) . . . . ?
P1 C71 P2 Pt2 -3.4(9) . . . . ?

_refine_diff_density_max         0.981
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.114

