#------------------------------------------------------------------------------
#$Date: 2024-04-05 02:33:11 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290971 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/51/7715105.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7715105
loop_
_publ_author_name
'Yuan, Lequn'
'Yao, Haibo'
'Shen, Yunjun'
'Zhang, Yuzhen'
_publ_section_title
;
 A cyclometalated Pt(II)-Pt(II) clamshell dimer with a triplet emission at
 887 nm.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5125
_journal_page_last               5132
_journal_paper_doi               10.1039/d3dt04335e
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C29 H21 Cl N4 Pt'
_chemical_formula_sum            'C29 H21 Cl N4 Pt'
_chemical_formula_weight         656.04
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-08-16
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-11-21 deposited with the CCDC.	2024-02-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.0900(10)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   11.3936(3)
_cell_length_b                   14.8792(4)
_cell_length_c                   42.2998(10)
_cell_measurement_reflns_used    9824
_cell_measurement_temperature    213.00
_cell_measurement_theta_max      54.849
_cell_measurement_theta_min      2.740
_cell_volume                     7152.7(3)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      213.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0677
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            142743
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.969
_diffrn_reflns_theta_min         2.740
_diffrn_source_current           2.86
_diffrn_source_power             0.1995708
_diffrn_source_voltage           69.78
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.384
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.4672
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1566 before and 0.0887 after correction.
The Ratio of minimum to maximum transmission is 0.6223.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_description       block
_exptl_crystal_F_000             3816
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.468
_refine_diff_density_min         -2.421
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     946
_refine_ls_number_reflns         13545
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0535P)²+20.8920P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1105
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11418
_reflns_number_total             13545
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt04335e2.cif
_cod_data_source_block           220812ylq_0m
_cod_depositor_comments
'Adding full bibliography for 7715103--7715105.cif.'
_cod_database_code               7715105
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.679
_shelx_estimated_absorpt_t_min   0.519
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N2(H2), C2(H2A), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10),
 C11(H11), C12(H12), C13(H13), C16(H16), C17(H17), C23(H23), C24(H24), C25(H25),
  C26(H26), C27(H27), C28(H28), C29(H29), N6(H6A), C31(H31), C32(H32), C33(H33),
  C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40), C41(H41),
 C42(H42), C45(H45), C46(H46), C52(H52), C53(H53), C54(H54), C55(H55), C56(H56),
  C57(H57), C58(H58), N10(H10A), C60(H60), C61(H61), C62(H62), C63(H63),
 C64(H64), C65(H65), C67(H67), C68(H68), C69(H69), C70(H70), C71(H71), C74(H74),
  C75(H75), C81(H81), C82(H82), C83(H83), C84(H84), C85(H85), C86(H86), C87(H87)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.72791(2) 0.87229(2) 0.34406(2) 0.04354(8) Uani 1 1 d . . . . .
Cl1 Cl 0.83316(18) 0.99617(11) 0.36682(4) 0.0673(5) Uani 1 1 d . . . . .
N1 N 0.7455(4) 0.9300(3) 0.30110(11) 0.0478(12) Uani 1 1 d . . . . .
N2 N 0.9323(4) 0.8774(3) 0.29363(11) 0.0447(11) Uani 1 1 d . . . . .
H2 H 0.933286 0.847869 0.311398 0.054 Uiso 1 1 calc R U . . .
N3 N 0.7093(4) 0.8175(3) 0.38667(11) 0.0418(11) Uani 1 1 d . . . . .
N4 N 0.6731(5) 0.7227(4) 0.44218(12) 0.0502(12) Uani 1 1 d . . . . .
C1 C 0.6588(6) 0.9959(4) 0.29041(14) 0.0509(15) Uani 1 1 d . . . . .
C2 C 0.6923(6) 1.0843(4) 0.28643(15) 0.0550(16) Uani 1 1 d . . . . .
H2A H 0.771499 1.101141 0.290533 0.066 Uiso 1 1 calc R U . . .
C3 C 0.6081(8) 1.1490(5) 0.27625(17) 0.0655(19) Uani 1 1 d . . . . .
H3 H 0.629992 1.209605 0.274528 0.079 Uiso 1 1 calc R U . . .
C4 C 0.4939(8) 1.1233(6) 0.2688(2) 0.076(2) Uani 1 1 d . . . . .
H4 H 0.437839 1.166113 0.261423 0.091 Uiso 1 1 calc R U . . .
C5 C 0.4607(7) 1.0336(6) 0.2723(2) 0.079(2) Uani 1 1 d . . . . .
H5 H 0.382261 1.016261 0.267158 0.095 Uiso 1 1 calc R U . . .
C6 C 0.5422(6) 0.9706(5) 0.28307(18) 0.0654(19) Uani 1 1 d . . . . .
H6 H 0.519421 0.910400 0.285509 0.079 Uiso 1 1 calc R U . . .
C7 C 0.8383(5) 0.9271(4) 0.28571(14) 0.0443(13) Uani 1 1 d . . . . .
H7 H 0.839837 0.962825 0.267424 0.053 Uiso 1 1 calc R U . . .
C8 C 1.0316(5) 0.8686(4) 0.27536(14) 0.0442(13) Uani 1 1 d . . . . .
C9 C 1.1293(5) 0.8238(4) 0.28824(14) 0.0445(13) Uani 1 1 d . . . . .
H9 H 1.128772 0.799057 0.308676 0.053 Uiso 1 1 calc R U . . .
C10 C 1.2271(6) 0.8149(4) 0.27161(15) 0.0518(15) Uani 1 1 d . . . . .
H10 H 1.293002 0.783595 0.280598 0.062 Uiso 1 1 calc R U . . .
C11 C 1.2299(6) 0.8513(5) 0.24184(16) 0.0588(17) Uani 1 1 d . . . . .
H11 H 1.297802 0.846059 0.230602 0.071 Uiso 1 1 calc R U . . .
C12 C 1.1333(6) 0.8950(5) 0.22874(16) 0.0614(18) Uani 1 1 d . . . . .
H12 H 1.135408 0.920176 0.208408 0.074 Uiso 1 1 calc R U . . .
C13 C 1.0325(6) 0.9031(5) 0.24467(16) 0.0598(18) Uani 1 1 d . . . . .
H13 H 0.965416 0.931382 0.235032 0.072 Uiso 1 1 calc R U . . .
C14 C 0.6586(5) 0.7340(4) 0.38577(14) 0.0433(13) Uani 1 1 d . . . . .
C15 C 0.6413(5) 0.6871(4) 0.41343(15) 0.0466(14) Uani 1 1 d . . . . .
C16 C 0.7203(6) 0.8033(5) 0.44214(15) 0.0558(16) Uani 1 1 d . . . . .
H16 H 0.742931 0.829317 0.461893 0.067 Uiso 1 1 calc R U . . .
C17 C 0.7394(5) 0.8530(4) 0.41517(14) 0.0479(14) Uani 1 1 d . . . . .
H17 H 0.772859 0.910684 0.416919 0.058 Uiso 1 1 calc R U . . .
C18 C 0.5881(5) 0.5979(4) 0.41026(16) 0.0514(15) Uani 1 1 d . . . . .
C19 C 0.5537(5) 0.5636(4) 0.37984(16) 0.0477(14) Uani 1 1 d . . . . .
C20 C 0.5733(5) 0.6169(4) 0.35145(16) 0.0494(14) Uani 1 1 d . . . . .
C21 C 0.6252(5) 0.7020(4) 0.35473(14) 0.0458(13) Uani 1 1 d . . . . .
C22 C 0.6484(5) 0.7599(4) 0.32914(14) 0.0452(13) Uani 1 1 d . . . . .
C23 C 0.6154(6) 0.7273(5) 0.29873(16) 0.0578(16) Uani 1 1 d . . . . .
H23 H 0.628448 0.762205 0.280795 0.069 Uiso 1 1 calc R U . . .
C24 C 0.5634(7) 0.6432(5) 0.29521(18) 0.0664(19) Uani 1 1 d . . . . .
H24 H 0.542034 0.622861 0.274564 0.080 Uiso 1 1 calc R U . . .
C25 C 0.5411(6) 0.5878(5) 0.32028(17) 0.0592(17) Uani 1 1 d . . . . .
H25 H 0.505062 0.531540 0.316629 0.071 Uiso 1 1 calc R U . . .
C26 C 0.5013(6) 0.4782(4) 0.37835(19) 0.0598(17) Uani 1 1 d . . . . .
H26 H 0.477109 0.454335 0.358369 0.072 Uiso 1 1 calc R U . . .
C27 C 0.4843(6) 0.4290(5) 0.4044(2) 0.067(2) Uani 1 1 d . . . . .
H27 H 0.449877 0.371739 0.402315 0.081 Uiso 1 1 calc R U . . .
C28 C 0.5177(7) 0.4629(5) 0.4346(2) 0.071(2) Uani 1 1 d . . . . .
H28 H 0.504402 0.428800 0.452745 0.085 Uiso 1 1 calc R U . . .
C29 C 0.5706(6) 0.5472(5) 0.43782(17) 0.0588(17) Uani 1 1 d . . . . .
H29 H 0.594323 0.570005 0.457995 0.071 Uiso 1 1 calc R U . . .
Pt2 Pt 0.39895(2) 0.82683(2) 0.45169(2) 0.04287(8) Uani 1 1 d . . . . .
Cl2 Cl 0.48493(17) 0.97097(12) 0.44405(4) 0.0662(4) Uani 1 1 d . . . . .
N5 N 0.4044(4) 0.8465(3) 0.49874(12) 0.0457(11) Uani 1 1 d . . . . .
N6 N 0.5874(4) 0.7810(4) 0.50938(11) 0.0490(12) Uani 1 1 d . . . . .
H6A H 0.583734 0.758995 0.490284 0.059 Uiso 1 1 calc R U . . .
N7 N 0.3768(4) 0.8013(3) 0.40480(11) 0.0435(11) Uani 1 1 d . . . . .
N8 N 0.3212(5) 0.7498(4) 0.34209(12) 0.0563(14) Uani 1 1 d . . . . .
C30 C 0.3034(5) 0.8863(5) 0.51196(16) 0.0523(15) Uani 1 1 d . . . . .
C31 C 0.2541(6) 0.9619(5) 0.49829(18) 0.0635(18) Uani 1 1 d . . . . .
H31 H 0.285719 0.987243 0.480396 0.076 Uiso 1 1 calc R U . . .
C32 C 0.1579(7) 1.0010(6) 0.5108(2) 0.077(2) Uani 1 1 d . . . . .
H32 H 0.123933 1.052764 0.501280 0.092 Uiso 1 1 calc R U . . .
C33 C 0.1116(8) 0.9651(8) 0.5369(2) 0.091(3) Uani 1 1 d . . . . .
H33 H 0.046263 0.991984 0.545391 0.109 Uiso 1 1 calc R U . . .
C34 C 0.1620(8) 0.8887(8) 0.5506(2) 0.091(3) Uani 1 1 d . . . . .
H34 H 0.130483 0.863876 0.568560 0.109 Uiso 1 1 calc R U . . .
C35 C 0.2581(6) 0.8482(6) 0.53826(17) 0.0646(19) Uani 1 1 d . . . . .
H35 H 0.291782 0.796013 0.547571 0.078 Uiso 1 1 calc R U . . .
C36 C 0.4930(6) 0.8252(4) 0.51823(15) 0.0479(14) Uani 1 1 d . . . . .
H36 H 0.490788 0.841597 0.539638 0.057 Uiso 1 1 calc R U . . .
C37 C 0.6930(5) 0.7672(5) 0.52854(14) 0.0508(15) Uani 1 1 d . . . . .
C38 C 0.7747(7) 0.7081(5) 0.51875(17) 0.0647(18) Uani 1 1 d . . . . .
H38 H 0.759983 0.676718 0.499587 0.078 Uiso 1 1 calc R U . . .
C39 C 0.8790(7) 0.6942(6) 0.5369(2) 0.074(2) Uani 1 1 d . . . . .
H39 H 0.935028 0.653631 0.530045 0.088 Uiso 1 1 calc R U . . .
C40 C 0.9005(7) 0.7389(7) 0.5645(2) 0.092(3) Uani 1 1 d . . . . .
H40 H 0.970307 0.728071 0.577100 0.110 Uiso 1 1 calc R U . . .
C41 C 0.8208(9) 0.7998(11) 0.5740(3) 0.138(5) Uani 1 1 d . . . . .
H41 H 0.836007 0.830824 0.593235 0.165 Uiso 1 1 calc R U . . .
C42 C 0.7174(8) 0.8162(8) 0.5556(2) 0.099(3) Uani 1 1 d . . . . .
H42 H 0.664698 0.860616 0.561616 0.118 Uiso 1 1 calc R U . . .
C43 C 0.3247(5) 0.7212(4) 0.39789(13) 0.0429(13) Uani 1 1 d . . . . .
C44 C 0.2972(5) 0.6959(4) 0.36657(14) 0.0481(14) Uani 1 1 d . . . . .
C45 C 0.3723(6) 0.8259(5) 0.34963(16) 0.0584(17) Uani 1 1 d . . . . .
H45 H 0.389845 0.864754 0.333080 0.070 Uiso 1 1 calc R U . . .
C46 C 0.4024(6) 0.8535(4) 0.38049(15) 0.0513(15) Uani 1 1 d . . . . .
H46 H 0.440791 0.908815 0.384304 0.062 Uiso 1 1 calc R U . . .
C47 C 0.2420(5) 0.6080(5) 0.36079(16) 0.0521(15) Uani 1 1 d . . . . .
C48 C 0.2210(6) 0.5523(5) 0.38668(17) 0.0551(16) Uani 1 1 d . . . . .
C49 C 0.2515(5) 0.5815(4) 0.41914(16) 0.0491(14) Uani 1 1 d . . . . .
C50 C 0.3012(5) 0.6662(4) 0.42443(14) 0.0424(13) Uani 1 1 d . . . . .
C51 C 0.3345(5) 0.7059(4) 0.45519(14) 0.0458(14) Uani 1 1 d . . . . .
C52 C 0.3158(6) 0.6496(4) 0.48037(15) 0.0529(15) Uani 1 1 d . . . . .
H52 H 0.336482 0.669696 0.501091 0.064 Uiso 1 1 calc R U . . .
C53 C 0.2675(6) 0.5646(5) 0.47606(16) 0.0599(17) Uani 1 1 d . . . . .
H53 H 0.255542 0.529296 0.493993 0.072 Uiso 1 1 calc R U . . .
C54 C 0.2363(6) 0.5297(4) 0.44626(18) 0.0603(17) Uani 1 1 d . . . . .
H54 H 0.204915 0.471362 0.444221 0.072 Uiso 1 1 calc R U . . .
C55 C 0.1708(6) 0.4677(5) 0.3801(2) 0.0673(19) Uani 1 1 d . . . . .
H55 H 0.156261 0.428461 0.396785 0.081 Uiso 1 1 calc R U . . .
C56 C 0.1425(7) 0.4417(6) 0.3488(2) 0.080(3) Uani 1 1 d . . . . .
H56 H 0.110279 0.384305 0.344748 0.096 Uiso 1 1 calc R U . . .
C57 C 0.1603(7) 0.4970(6) 0.3240(2) 0.078(2) Uani 1 1 d . . . . .
H57 H 0.137507 0.478765 0.303150 0.093 Uiso 1 1 calc R U . . .
C58 C 0.2117(6) 0.5793(5) 0.32946(17) 0.0637(19) Uani 1 1 d . . . . .
H58 H 0.226735 0.616778 0.312326 0.076 Uiso 1 1 calc R U . . .
Pt3 Pt 0.79974(2) 0.40996(2) 0.34031(2) 0.04425(8) Uani 1 1 d . . . . .
Cl3 Cl 0.78342(18) 0.37793(12) 0.28456(4) 0.0647(4) Uani 1 1 d . . . . .
N9 N 0.7598(5) 0.2790(3) 0.34829(12) 0.0503(12) Uani 1 1 d . . . . .
N10 N 0.9438(5) 0.2392(4) 0.33453(16) 0.0687(17) Uani 1 1 d . . . . .
H10A H 0.960962 0.295944 0.333011 0.082 Uiso 1 1 calc R U . . .
N11 N 0.8544(4) 0.5382(3) 0.33486(11) 0.0441(11) Uani 1 1 d . . . . .
N12 N 0.9477(5) 0.7110(3) 0.33537(12) 0.0496(12) Uani 1 1 d . . . . .
C59 C 0.6460(6) 0.2496(4) 0.35559(14) 0.0472(14) Uani 1 1 d . . . . .
C60 C 0.5485(6) 0.2860(5) 0.33867(17) 0.0627(18) Uani 1 1 d . . . . .
H60 H 0.557412 0.332631 0.324057 0.075 Uiso 1 1 calc R U . . .
C61 C 0.4371(7) 0.2524(6) 0.3436(2) 0.078(2) Uani 1 1 d . . . . .
H61 H 0.371133 0.275954 0.331823 0.094 Uiso 1 1 calc R U . . .
C62 C 0.4216(8) 0.1865(7) 0.3652(2) 0.089(3) Uani 1 1 d . . . . .
H62 H 0.345561 0.165934 0.368632 0.106 Uiso 1 1 calc R U . . .
C63 C 0.5191(9) 0.1498(6) 0.3821(2) 0.082(2) Uani 1 1 d . . . . .
H63 H 0.509325 0.102671 0.396426 0.099 Uiso 1 1 calc R U . . .
C64 C 0.6292(7) 0.1819(5) 0.37785(17) 0.0634(18) Uani 1 1 d . . . . .
H64 H 0.694357 0.158405 0.390023 0.076 Uiso 1 1 calc R U . . .
C65 C 0.8398(6) 0.2182(4) 0.34469(16) 0.0559(16) Uani 1 1 d . . . . .
H65 H 0.823511 0.157905 0.349409 0.067 Uiso 1 1 calc R U . . .
C66 C 1.0291(7) 0.1758(5) 0.3259(2) 0.073(2) Uani 1 1 d . . . . .
C67 C 1.0633(7) 0.1061(6) 0.3468(2) 0.081(2) Uani 1 1 d . . . . .
H67 H 1.030922 0.102405 0.366555 0.098 Uiso 1 1 calc R U . . .
C68 C 1.1439(9) 0.0426(7) 0.3386(3) 0.104(3) Uani 1 1 d . . . . .
H68 H 1.165307 -0.005370 0.352305 0.125 Uiso 1 1 calc R U . . .
C69 C 1.1919(11) 0.0513(7) 0.3101(4) 0.123(4) Uani 1 1 d . . . . .
H69 H 1.247903 0.008947 0.304330 0.147 Uiso 1 1 calc R U . . .
C70 C 1.1604(10) 0.1207(8) 0.2893(3) 0.124(5) Uani 1 1 d . . . . .
H70 H 1.194774 0.125578 0.269808 0.148 Uiso 1 1 calc R U . . .
C71 C 1.0782(9) 0.1823(6) 0.2976(3) 0.097(3) Uani 1 1 d . . . . .
H71 H 1.055726 0.229291 0.283643 0.116 Uiso 1 1 calc R U . . .
C72 C 0.8898(5) 0.5794(4) 0.36237(14) 0.0403(12) Uani 1 1 d . . . . .
C73 C 0.9379(5) 0.6655(4) 0.36260(14) 0.0417(13) Uani 1 1 d . . . . .
C74 C 0.9108(6) 0.6685(4) 0.30878(16) 0.0543(16) Uani 1 1 d . . . . .
H74 H 0.916252 0.698733 0.289422 0.065 Uiso 1 1 calc R U . . .
C75 C 0.8652(6) 0.5826(4) 0.30805(15) 0.0494(14) Uani 1 1 d . . . . .
H75 H 0.841672 0.555586 0.288538 0.059 Uiso 1 1 calc R U . . .
C76 C 0.9753(5) 0.7060(4) 0.39302(14) 0.0456(13) Uani 1 1 d . . . . .
C77 C 0.9621(5) 0.6564(4) 0.42144(15) 0.0468(14) Uani 1 1 d . . . . .
C78 C 0.9123(5) 0.5659(4) 0.42017(14) 0.0435(13) Uani 1 1 d . . . . .
C79 C 0.8772(5) 0.5285(4) 0.39058(14) 0.0419(13) Uani 1 1 d . . . . .
C80 C 0.8274(5) 0.4416(4) 0.38600(14) 0.0443(13) Uani 1 1 d . . . . .
C81 C 0.8144(6) 0.3921(4) 0.41282(15) 0.0507(15) Uani 1 1 d . . . . .
H81 H 0.783252 0.333677 0.411057 0.061 Uiso 1 1 calc R U . . .
C82 C 0.8471(6) 0.4276(5) 0.44289(15) 0.0536(15) Uani 1 1 d . . . . .
H82 H 0.835619 0.392802 0.460966 0.064 Uiso 1 1 calc R U . . .
C83 C 0.8957(5) 0.5121(5) 0.44664(15) 0.0525(15) Uani 1 1 d . . . . .
H83 H 0.917859 0.533762 0.467080 0.063 Uiso 1 1 calc R U . . .
C84 C 1.0006(6) 0.6985(5) 0.45012(15) 0.0543(16) Uani 1 1 d . . . . .
H84 H 0.992873 0.667810 0.469286 0.065 Uiso 1 1 calc R U . . .
C85 C 1.0486(6) 0.7823(5) 0.45096(19) 0.0632(19) Uani 1 1 d . . . . .
H85 H 1.074281 0.808237 0.470517 0.076 Uiso 1 1 calc R U . . .
C86 C 1.0599(6) 0.8295(5) 0.42322(19) 0.0633(19) Uani 1 1 d . . . . .
H86 H 1.092942 0.887449 0.424074 0.076 Uiso 1 1 calc R U . . .
C87 C 1.0235(5) 0.7930(4) 0.39451(17) 0.0529(15) Uani 1 1 d . . . . .
H87 H 1.030638 0.825956 0.375796 0.063 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -5.3886 5.5592 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 Cl1 87.44(15) . . ?
N3 Pt1 Cl1 91.97(14) . . ?
N3 Pt1 N1 179.0(2) . . ?
C22 Pt1 Cl1 173.25(18) . . ?
C22 Pt1 N1 98.2(2) . . ?
C22 Pt1 N3 82.4(2) . . ?
C1 N1 Pt1 117.3(4) . . ?
C7 N1 Pt1 125.2(4) . . ?
C7 N1 C1 115.8(5) . . ?
C7 N2 H2 117.5 . . ?
C7 N2 C8 125.0(5) . . ?
C8 N2 H2 117.5 . . ?
C14 N3 Pt1 114.6(4) . . ?
C17 N3 Pt1 127.8(4) . . ?
C17 N3 C14 117.6(5) . . ?
C16 N4 C15 116.1(5) . . ?
C2 C1 N1 119.7(6) . . ?
C2 C1 C6 119.8(6) . . ?
C6 C1 N1 120.4(6) . . ?
C1 C2 H2A 120.0 . . ?
C1 C2 C3 120.0(7) . . ?
C3 C2 H2A 120.0 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.7(7) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.1(7) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.3(8) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.0(8) . . ?
C5 C6 H6 120.0 . . ?
N1 C7 N2 124.9(6) . . ?
N1 C7 H7 117.5 . . ?
N2 C7 H7 117.5 . . ?
C9 C8 N2 118.8(5) . . ?
C9 C8 C13 119.1(6) . . ?
C13 C8 N2 122.1(5) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.7(6) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.4(6) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.3 . . ?
C12 C11 C10 119.4(6) . . ?
C12 C11 H11 120.3 . . ?
C11 C12 H12 119.3 . . ?
C11 C12 C13 121.4(6) . . ?
C13 C12 H12 119.3 . . ?
C8 C13 H13 120.5 . . ?
C12 C13 C8 119.0(6) . . ?
C12 C13 H13 120.5 . . ?
N3 C14 C15 121.1(6) . . ?
N3 C14 C21 114.5(5) . . ?
C15 C14 C21 124.4(6) . . ?
N4 C15 C14 121.1(6) . . ?
N4 C15 C18 121.4(6) . . ?
C14 C15 C18 117.5(6) . . ?
N4 C16 H16 117.5 . . ?
N4 C16 C17 125.1(6) . . ?
C17 C16 H16 117.5 . . ?
N3 C17 C16 119.0(6) . . ?
N3 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C19 C18 C15 119.9(6) . . ?
C19 C18 C29 120.7(6) . . ?
C29 C18 C15 119.4(6) . . ?
C18 C19 C20 120.1(6) . . ?
C26 C19 C18 117.2(6) . . ?
C26 C19 C20 122.7(6) . . ?
C21 C20 C19 119.7(6) . . ?
C21 C20 C25 116.7(6) . . ?
C25 C20 C19 123.6(6) . . ?
C20 C21 C14 118.5(6) . . ?
C20 C21 C22 124.9(6) . . ?
C22 C21 C14 116.5(6) . . ?
C21 C22 Pt1 112.0(4) . . ?
C23 C22 Pt1 132.1(5) . . ?
C23 C22 C21 115.9(6) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 C22 119.7(7) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 118.1 . . ?
C25 C24 C23 123.8(7) . . ?
C25 C24 H24 118.1 . . ?
C20 C25 H25 120.5 . . ?
C24 C25 C20 119.0(6) . . ?
C24 C25 H25 120.5 . . ?
C19 C26 H26 118.7 . . ?
C27 C26 C19 122.7(7) . . ?
C27 C26 H26 118.7 . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.3(7) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.0(7) . . ?
C29 C28 H28 120.0 . . ?
C18 C29 H29 120.5 . . ?
C28 C29 C18 119.1(7) . . ?
C28 C29 H29 120.5 . . ?
N5 Pt2 Cl2 91.12(15) . . ?
N5 Pt2 N7 174.02(19) . . ?
N7 Pt2 Cl2 93.42(15) . . ?
C51 Pt2 Cl2 175.74(18) . . ?
C51 Pt2 N5 92.5(2) . . ?
C51 Pt2 N7 83.1(2) . . ?
C30 N5 Pt2 118.3(4) . . ?
C36 N5 Pt2 124.2(4) . . ?
C36 N5 C30 117.4(5) . . ?
C36 N6 H6A 117.3 . . ?
C36 N6 C37 125.3(5) . . ?
C37 N6 H6A 117.3 . . ?
C43 N7 Pt2 113.6(4) . . ?
C46 N7 Pt2 128.9(4) . . ?
C46 N7 C43 117.5(5) . . ?
C45 N8 C44 116.0(6) . . ?
C31 C30 N5 119.3(6) . . ?
C31 C30 C35 120.9(7) . . ?
C35 C30 N5 119.8(6) . . ?
C30 C31 H31 120.1 . . ?
C30 C31 C32 119.9(8) . . ?
C32 C31 H31 120.1 . . ?
C31 C32 H32 119.7 . . ?
C33 C32 C31 120.6(9) . . ?
C33 C32 H32 119.7 . . ?
C32 C33 H33 120.4 . . ?
C32 C33 C34 119.2(8) . . ?
C34 C33 H33 120.4 . . ?
C33 C34 H34 119.5 . . ?
C35 C34 C33 121.1(9) . . ?
C35 C34 H34 119.5 . . ?
C30 C35 C34 118.4(8) . . ?
C30 C35 H35 120.8 . . ?
C34 C35 H35 120.8 . . ?
N5 C36 N6 123.2(6) . . ?
N5 C36 H36 118.4 . . ?
N6 C36 H36 118.4 . . ?
C38 C37 N6 119.3(6) . . ?
C38 C37 C42 119.6(7) . . ?
C42 C37 N6 121.0(6) . . ?
C37 C38 H38 119.9 . . ?
C37 C38 C39 120.3(7) . . ?
C39 C38 H38 119.9 . . ?
C38 C39 H39 119.9 . . ?
C40 C39 C38 120.1(8) . . ?
C40 C39 H39 119.9 . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0(8) . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 119.8 . . ?
C40 C41 C42 120.5(9) . . ?
C42 C41 H41 119.8 . . ?
C37 C42 C41 119.3(9) . . ?
C37 C42 H42 120.3 . . ?
C41 C42 H42 120.3 . . ?
N7 C43 C44 120.6(6) . . ?
N7 C43 C50 116.0(5) . . ?
C44 C43 C50 123.4(6) . . ?
N8 C44 C43 121.6(6) . . ?
N8 C44 C47 120.6(6) . . ?
C43 C44 C47 117.7(6) . . ?
N8 C45 H45 117.8 . . ?
N8 C45 C46 124.3(6) . . ?
C46 C45 H45 117.8 . . ?
N7 C46 C45 119.9(6) . . ?
N7 C46 H46 120.1 . . ?
C45 C46 H46 120.1 . . ?
C48 C47 C44 119.4(6) . . ?
C48 C47 C58 120.6(7) . . ?
C58 C47 C44 120.0(7) . . ?
C47 C48 C49 121.0(6) . . ?
C55 C48 C47 117.6(6) . . ?
C55 C48 C49 121.4(7) . . ?
C50 C49 C48 119.2(6) . . ?
C50 C49 C54 116.0(6) . . ?
C54 C49 C48 124.9(6) . . ?
C43 C50 C51 114.7(5) . . ?
C49 C50 C43 119.2(5) . . ?
C49 C50 C51 126.0(6) . . ?
C50 C51 Pt2 112.4(4) . . ?
C52 C51 Pt2 134.1(5) . . ?
C52 C51 C50 113.5(6) . . ?
C51 C52 H52 118.9 . . ?
C51 C52 C53 122.2(6) . . ?
C53 C52 H52 118.9 . . ?
C52 C53 H53 118.8 . . ?
C52 C53 C54 122.3(6) . . ?
C54 C53 H53 118.8 . . ?
C49 C54 H54 120.0 . . ?
C53 C54 C49 120.0(6) . . ?
C53 C54 H54 120.0 . . ?
C48 C55 H55 120.0 . . ?
C56 C55 C48 120.1(8) . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 119.1 . . ?
C57 C56 C55 121.8(8) . . ?
C57 C56 H56 119.1 . . ?
C56 C57 H57 120.2 . . ?
C56 C57 C58 119.7(7) . . ?
C58 C57 H57 120.2 . . ?
C47 C58 H58 119.9 . . ?
C57 C58 C47 120.2(8) . . ?
C57 C58 H58 119.9 . . ?
N9 Pt3 Cl3 88.30(15) . . ?
N11 Pt3 Cl3 94.49(14) . . ?
N11 Pt3 N9 174.4(2) . . ?
C80 Pt3 Cl3 174.79(18) . . ?
C80 Pt3 N9 95.0(2) . . ?
C80 Pt3 N11 81.9(2) . . ?
C59 N9 Pt3 123.3(4) . . ?
C65 N9 Pt3 118.7(4) . . ?
C65 N9 C59 117.9(5) . . ?
C65 N10 H10A 117.6 . . ?
C65 N10 C66 124.7(6) . . ?
C66 N10 H10A 117.6 . . ?
C72 N11 Pt3 113.8(4) . . ?
C75 N11 Pt3 127.9(4) . . ?
C75 N11 C72 118.1(5) . . ?
C74 N12 C73 116.3(5) . . ?
C60 C59 N9 118.4(6) . . ?
C60 C59 C64 119.0(6) . . ?
C64 C59 N9 122.5(6) . . ?
C59 C60 H60 120.4 . . ?
C61 C60 C59 119.1(7) . . ?
C61 C60 H60 120.4 . . ?
C60 C61 H61 119.2 . . ?
C62 C61 C60 121.5(9) . . ?
C62 C61 H61 119.2 . . ?
C61 C62 H62 120.3 . . ?
C61 C62 C63 119.4(8) . . ?
C63 C62 H62 120.3 . . ?
C62 C63 H63 119.9 . . ?
C64 C63 C62 120.3(8) . . ?
C64 C63 H63 119.9 . . ?
C59 C64 H64 119.7 . . ?
C63 C64 C59 120.6(8) . . ?
C63 C64 H64 119.7 . . ?
N9 C65 N10 121.5(6) . . ?
N9 C65 H65 119.2 . . ?
N10 C65 H65 119.2 . . ?
C67 C66 N10 119.8(8) . . ?
C71 C66 N10 120.7(8) . . ?
C71 C66 C67 119.5(8) . . ?
C66 C67 H67 119.6 . . ?
C68 C67 C66 120.8(10) . . ?
C68 C67 H67 119.6 . . ?
C67 C68 H68 120.9 . . ?
C69 C68 C67 118.2(11) . . ?
C69 C68 H68 120.9 . . ?
C68 C69 H69 119.1 . . ?
C68 C69 C70 121.9(10) . . ?
C70 C69 H69 119.1 . . ?
C69 C70 H70 120.5 . . ?
C71 C70 C69 119.0(11) . . ?
C71 C70 H70 120.5 . . ?
C66 C71 C70 120.6(10) . . ?
C66 C71 H71 119.7 . . ?
C70 C71 H71 119.7 . . ?
N11 C72 C73 121.0(5) . . ?
N11 C72 C79 116.0(5) . . ?
C73 C72 C79 123.0(5) . . ?
N12 C73 C72 120.8(5) . . ?
N12 C73 C76 120.7(5) . . ?
C72 C73 C76 118.5(5) . . ?
N12 C74 H74 118.2 . . ?
N12 C74 C75 123.6(6) . . ?
C75 C74 H74 118.2 . . ?
N11 C75 C74 120.0(6) . . ?
N11 C75 H75 120.0 . . ?
C74 C75 H75 120.0 . . ?
C77 C76 C73 119.2(5) . . ?
C87 C76 C73 120.6(6) . . ?
C87 C76 C77 120.2(6) . . ?
C76 C77 C78 120.6(5) . . ?
C84 C77 C76 116.8(6) . . ?
C84 C77 C78 122.5(6) . . ?
C79 C78 C77 118.9(5) . . ?
C83 C78 C77 124.9(6) . . ?
C83 C78 C79 116.2(6) . . ?
C78 C79 C72 119.8(5) . . ?
C78 C79 C80 124.7(5) . . ?
C80 C79 C72 115.6(5) . . ?
C79 C80 Pt3 112.5(4) . . ?
C81 C80 Pt3 131.1(5) . . ?
C81 C80 C79 116.3(6) . . ?
C80 C81 H81 119.6 . . ?
C80 C81 C82 120.7(6) . . ?
C82 C81 H81 119.6 . . ?
C81 C82 H82 119.1 . . ?
C83 C82 C81 121.7(6) . . ?
C83 C82 H82 119.1 . . ?
C78 C83 H83 119.8 . . ?
C82 C83 C78 120.4(6) . . ?
C82 C83 H83 119.8 . . ?
C77 C84 H84 119.0 . . ?
C85 C84 C77 122.0(7) . . ?
C85 C84 H84 119.0 . . ?
C84 C85 H85 119.8 . . ?
C84 C85 C86 120.3(7) . . ?
C86 C85 H85 119.8 . . ?
C85 C86 H86 119.6 . . ?
C87 C86 C85 120.7(7) . . ?
C87 C86 H86 119.6 . . ?
C76 C87 H87 120.0 . . ?
C86 C87 C76 119.9(7) . . ?
C86 C87 H87 120.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.3658(17) . ?
Pt1 N1 2.033(5) . ?
Pt1 N3 2.003(5) . ?
Pt1 C22 1.984(6) . ?
N1 C1 1.442(8) . ?
N1 C7 1.282(8) . ?
N2 H2 0.8700 . ?
N2 C7 1.324(8) . ?
N2 C8 1.421(7) . ?
N3 C14 1.369(8) . ?
N3 C17 1.339(8) . ?
N4 C15 1.352(8) . ?
N4 C16 1.315(8) . ?
C1 C2 1.383(9) . ?
C1 C6 1.394(10) . ?
C2 H2A 0.9400 . ?
C2 C3 1.404(10) . ?
C3 H3 0.9400 . ?
C3 C4 1.371(12) . ?
C4 H4 0.9400 . ?
C4 C5 1.398(12) . ?
C5 H5 0.9400 . ?
C5 C6 1.375(11) . ?
C6 H6 0.9400 . ?
C7 H7 0.9400 . ?
C8 C9 1.377(8) . ?
C8 C13 1.396(9) . ?
C9 H9 0.9400 . ?
C9 C10 1.366(9) . ?
C10 H10 0.9400 . ?
C10 C11 1.373(9) . ?
C11 H11 0.9400 . ?
C11 C12 1.362(9) . ?
C12 H12 0.9400 . ?
C12 C13 1.377(9) . ?
C13 H13 0.9400 . ?
C14 C15 1.389(8) . ?
C14 C21 1.423(8) . ?
C15 C18 1.461(9) . ?
C16 H16 0.9400 . ?
C16 C17 1.390(9) . ?
C17 H17 0.9400 . ?
C18 C19 1.414(9) . ?
C18 C29 1.415(9) . ?
C19 C20 1.469(9) . ?
C19 C26 1.403(9) . ?
C20 C21 1.400(9) . ?
C20 C25 1.411(9) . ?
C21 C22 1.423(8) . ?
C22 C23 1.401(9) . ?
C23 H23 0.9400 . ?
C23 C24 1.387(10) . ?
C24 H24 0.9400 . ?
C24 C25 1.381(11) . ?
C25 H25 0.9400 . ?
C26 H26 0.9400 . ?
C26 C27 1.350(10) . ?
C27 H27 0.9400 . ?
C27 C28 1.400(11) . ?
C28 H28 0.9400 . ?
C28 C29 1.394(11) . ?
C29 H29 0.9400 . ?
Pt2 Cl2 2.3893(17) . ?
Pt2 N5 2.008(5) . ?
Pt2 N7 2.017(5) . ?
Pt2 C51 1.953(6) . ?
N5 C30 1.443(8) . ?
N5 C36 1.297(8) . ?
N6 H6A 0.8700 . ?
N6 C36 1.336(8) . ?
N6 C37 1.417(8) . ?
N7 C43 1.354(8) . ?
N7 C46 1.338(8) . ?
N8 C44 1.353(8) . ?
N8 C45 1.303(9) . ?
C30 C31 1.367(10) . ?
C30 C35 1.381(10) . ?
C31 H31 0.9400 . ?
C31 C32 1.379(11) . ?
C32 H32 0.9400 . ?
C32 C33 1.365(13) . ?
C33 H33 0.9400 . ?
C33 C34 1.382(14) . ?
C34 H34 0.9400 . ?
C34 C35 1.384(11) . ?
C35 H35 0.9400 . ?
C36 H36 0.9400 . ?
C37 C38 1.367(9) . ?
C37 C42 1.368(10) . ?
C38 H38 0.9400 . ?
C38 C39 1.384(10) . ?
C39 H39 0.9400 . ?
C39 C40 1.349(12) . ?
C40 H40 0.9400 . ?
C40 C41 1.364(14) . ?
C41 H41 0.9400 . ?
C41 C42 1.387(13) . ?
C42 H42 0.9400 . ?
C43 C44 1.391(8) . ?
C43 C50 1.431(8) . ?
C44 C47 1.465(10) . ?
C45 H45 0.9400 . ?
C45 C46 1.388(9) . ?
C46 H46 0.9400 . ?
C47 C48 1.407(10) . ?
C47 C58 1.411(9) . ?
C48 C49 1.458(9) . ?
C48 C55 1.403(10) . ?
C49 C50 1.394(9) . ?
C49 C54 1.403(9) . ?
C50 C51 1.455(8) . ?
C51 C52 1.383(8) . ?
C52 H52 0.9400 . ?
C52 C53 1.387(9) . ?
C53 H53 0.9400 . ?
C53 C54 1.386(10) . ?
C54 H54 0.9400 . ?
C55 H55 0.9400 . ?
C55 C56 1.395(11) . ?
C56 H56 0.9400 . ?
C56 C57 1.361(13) . ?
C57 H57 0.9400 . ?
C57 C58 1.370(12) . ?
C58 H58 0.9400 . ?
Pt3 Cl3 2.4001(16) . ?
Pt3 N9 2.034(5) . ?
Pt3 N11 2.026(5) . ?
Pt3 C80 1.992(6) . ?
N9 C59 1.423(8) . ?
N9 C65 1.302(8) . ?
N10 H10A 0.8700 . ?
N10 C65 1.326(9) . ?
N10 C66 1.420(9) . ?
N11 C72 1.351(7) . ?
N11 C75 1.326(8) . ?
N12 C73 1.348(7) . ?
N12 C74 1.332(8) . ?
C59 C60 1.389(10) . ?
C59 C64 1.401(9) . ?
C60 H60 0.9400 . ?
C60 C61 1.393(10) . ?
C61 H61 0.9400 . ?
C61 C62 1.359(12) . ?
C62 H62 0.9400 . ?
C62 C63 1.389(13) . ?
C63 H63 0.9400 . ?
C63 C64 1.366(11) . ?
C64 H64 0.9400 . ?
C65 H65 0.9400 . ?
C66 C67 1.399(12) . ?
C66 C71 1.361(12) . ?
C67 H67 0.9400 . ?
C67 C68 1.379(12) . ?
C68 H68 0.9400 . ?
C68 C69 1.367(16) . ?
C69 H69 0.9400 . ?
C69 C70 1.387(17) . ?
C70 H70 0.9400 . ?
C70 C71 1.374(13) . ?
C71 H71 0.9400 . ?
C72 C73 1.393(8) . ?
C72 C79 1.429(8) . ?
C73 C76 1.457(8) . ?
C74 H74 0.9400 . ?
C74 C75 1.379(9) . ?
C75 H75 0.9400 . ?
C76 C77 1.428(9) . ?
C76 C87 1.404(9) . ?
C77 C78 1.461(9) . ?
C77 C84 1.407(9) . ?
C78 C79 1.402(8) . ?
C78 C83 1.400(9) . ?
C79 C80 1.420(8) . ?
C80 C81 1.370(8) . ?
C81 H81 0.9400 . ?
C81 C82 1.403(9) . ?
C82 H82 0.9400 . ?
C82 C83 1.379(10) . ?
C83 H83 0.9400 . ?
C84 H84 0.9400 . ?
C84 C85 1.362(10) . ?
C85 H85 0.9400 . ?
C85 C86 1.381(11) . ?
C86 H86 0.9400 . ?
C86 C87 1.368(10) . ?
C87 H87 0.9400 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C1 C2 115.2(5) . . . . ?
Pt1 N1 C1 C6 -66.9(7) . . . . ?
Pt1 N1 C7 N2 8.3(9) . . . . ?
Pt1 N3 C14 C15 179.2(4) . . . . ?
Pt1 N3 C14 C21 -1.7(6) . . . . ?
Pt1 N3 C17 C16 -179.2(4) . . . . ?
Pt1 C22 C23 C24 177.9(5) . . . . ?
N1 C1 C2 C3 -179.5(6) . . . . ?
N1 C1 C6 C5 -178.7(7) . . . . ?
N2 C8 C9 C10 -179.2(6) . . . . ?
N2 C8 C13 C12 177.7(7) . . . . ?
N3 C14 C15 N4 0.5(9) . . . . ?
N3 C14 C15 C18 -179.1(5) . . . . ?
N3 C14 C21 C20 179.6(5) . . . . ?
N3 C14 C21 C22 0.1(8) . . . . ?
N4 C15 C18 C19 178.7(5) . . . . ?
N4 C15 C18 C29 -0.7(9) . . . . ?
N4 C16 C17 N3 -0.7(10) . . . . ?
C1 N1 C7 N2 173.3(6) . . . . ?
C1 C2 C3 C4 -3.1(10) . . . . ?
C2 C1 C6 C5 -0.8(11) . . . . ?
C2 C3 C4 C5 1.8(12) . . . . ?
C3 C4 C5 C6 0.0(13) . . . . ?
C4 C5 C6 C1 -0.5(12) . . . . ?
C6 C1 C2 C3 2.6(10) . . . . ?
C7 N1 C1 C2 -51.1(8) . . . . ?
C7 N1 C1 C6 126.8(7) . . . . ?
C7 N2 C8 C9 172.0(6) . . . . ?
C7 N2 C8 C13 -8.8(9) . . . . ?
C8 N2 C7 N1 174.9(6) . . . . ?
C8 C9 C10 C11 0.6(10) . . . . ?
C9 C8 C13 C12 -3.1(10) . . . . ?
C9 C10 C11 C12 -1.2(11) . . . . ?
C10 C11 C12 C13 -0.3(12) . . . . ?
C11 C12 C13 C8 2.5(12) . . . . ?
C13 C8 C9 C10 1.6(9) . . . . ?
C14 N3 C17 C16 1.4(8) . . . . ?
C14 C15 C18 C19 -1.7(8) . . . . ?
C14 C15 C18 C29 179.0(5) . . . . ?
C14 C21 C22 Pt1 1.5(7) . . . . ?
C14 C21 C22 C23 179.8(5) . . . . ?
C15 N4 C16 C17 -0.1(10) . . . . ?
C15 C14 C21 C20 -1.3(9) . . . . ?
C15 C14 C21 C22 179.1(5) . . . . ?
C15 C18 C19 C20 1.1(8) . . . . ?
C15 C18 C19 C26 -178.9(5) . . . . ?
C15 C18 C29 C28 178.7(6) . . . . ?
C16 N4 C15 C14 0.2(9) . . . . ?
C16 N4 C15 C18 179.8(6) . . . . ?
C17 N3 C14 C15 -1.3(8) . . . . ?
C17 N3 C14 C21 177.8(5) . . . . ?
C18 C19 C20 C21 -0.5(9) . . . . ?
C18 C19 C20 C25 -179.7(6) . . . . ?
C18 C19 C26 C27 -0.6(10) . . . . ?
C19 C18 C29 C28 -0.6(9) . . . . ?
C19 C20 C21 C14 0.6(8) . . . . ?
C19 C20 C21 C22 -179.9(5) . . . . ?
C19 C20 C25 C24 180.0(6) . . . . ?
C19 C26 C27 C28 0.9(11) . . . . ?
C20 C19 C26 C27 179.5(6) . . . . ?
C20 C21 C22 Pt1 -178.0(5) . . . . ?
C20 C21 C22 C23 0.3(9) . . . . ?
C21 C14 C15 N4 -178.5(5) . . . . ?
C21 C14 C15 C18 1.8(8) . . . . ?
C21 C20 C25 C24 0.7(10) . . . . ?
C21 C22 C23 C24 0.1(9) . . . . ?
C22 C23 C24 C25 0.0(11) . . . . ?
C23 C24 C25 C20 -0.5(11) . . . . ?
C25 C20 C21 C14 179.8(5) . . . . ?
C25 C20 C21 C22 -0.7(9) . . . . ?
C26 C19 C20 C21 179.4(6) . . . . ?
C26 C19 C20 C25 0.3(10) . . . . ?
C26 C27 C28 C29 -1.1(11) . . . . ?
C27 C28 C29 C18 0.9(10) . . . . ?
C29 C18 C19 C20 -179.6(5) . . . . ?
C29 C18 C19 C26 0.4(9) . . . . ?
Pt2 N5 C30 C31 -47.9(7) . . . . ?
Pt2 N5 C30 C35 132.5(6) . . . . ?
Pt2 N5 C36 N6 -5.5(9) . . . . ?
Pt2 N7 C43 C44 176.4(4) . . . . ?
Pt2 N7 C43 C50 -3.8(6) . . . . ?
Pt2 N7 C46 C45 -175.3(4) . . . . ?
Pt2 C51 C52 C53 -179.9(5) . . . . ?
N5 C30 C31 C32 -179.7(6) . . . . ?
N5 C30 C35 C34 179.3(6) . . . . ?
N6 C37 C38 C39 179.3(7) . . . . ?
N6 C37 C42 C41 178.9(11) . . . . ?
N7 C43 C44 N8 0.0(9) . . . . ?
N7 C43 C44 C47 179.4(5) . . . . ?
N7 C43 C50 C49 -177.8(5) . . . . ?
N7 C43 C50 C51 1.4(7) . . . . ?
N8 C44 C47 C48 178.3(5) . . . . ?
N8 C44 C47 C58 -0.9(9) . . . . ?
N8 C45 C46 N7 -1.4(10) . . . . ?
C30 N5 C36 N6 174.2(6) . . . . ?
C30 C31 C32 C33 0.3(11) . . . . ?
C31 C30 C35 C34 -0.4(11) . . . . ?
C31 C32 C33 C34 -0.3(12) . . . . ?
C32 C33 C34 C35 -0.1(13) . . . . ?
C33 C34 C35 C30 0.5(12) . . . . ?
C35 C30 C31 C32 0.0(10) . . . . ?
C36 N5 C30 C31 132.4(6) . . . . ?
C36 N5 C30 C35 -47.2(8) . . . . ?
C36 N6 C37 C38 168.7(6) . . . . ?
C36 N6 C37 C42 -15.4(11) . . . . ?
C37 N6 C36 N5 170.7(6) . . . . ?
C37 C38 C39 C40 0.2(13) . . . . ?
C38 C37 C42 C41 -5.2(16) . . . . ?
C38 C39 C40 C41 -1.9(16) . . . . ?
C39 C40 C41 C42 0(2) . . . . ?
C40 C41 C42 C37 4(2) . . . . ?
C42 C37 C38 C39 3.4(12) . . . . ?
C43 N7 C46 C45 2.0(8) . . . . ?
C43 C44 C47 C48 -1.2(8) . . . . ?
C43 C44 C47 C58 179.6(6) . . . . ?
C43 C50 C51 Pt2 1.7(6) . . . . ?
C43 C50 C51 C52 -177.2(5) . . . . ?
C44 N8 C45 C46 0.1(10) . . . . ?
C44 C43 C50 C49 2.0(9) . . . . ?
C44 C43 C50 C51 -178.8(5) . . . . ?
C44 C47 C48 C49 1.1(9) . . . . ?
C44 C47 C48 C55 -178.4(6) . . . . ?
C44 C47 C58 C57 179.8(6) . . . . ?
C45 N8 C44 C43 0.6(9) . . . . ?
C45 N8 C44 C47 -178.8(6) . . . . ?
C46 N7 C43 C44 -1.3(8) . . . . ?
C46 N7 C43 C50 178.5(5) . . . . ?
C47 C48 C49 C50 0.5(9) . . . . ?
C47 C48 C49 C54 -178.4(6) . . . . ?
C47 C48 C55 C56 -0.6(10) . . . . ?
C48 C47 C58 C57 0.6(10) . . . . ?
C48 C49 C50 C43 -2.0(8) . . . . ?
C48 C49 C50 C51 178.8(5) . . . . ?
C48 C49 C54 C53 -179.5(6) . . . . ?
C48 C55 C56 C57 -1.1(12) . . . . ?
C49 C48 C55 C56 179.9(6) . . . . ?
C49 C50 C51 Pt2 -179.1(5) . . . . ?
C49 C50 C51 C52 2.0(9) . . . . ?
C50 C43 C44 N8 -179.8(5) . . . . ?
C50 C43 C44 C47 -0.4(8) . . . . ?
C50 C49 C54 C53 1.5(10) . . . . ?
C50 C51 C52 C53 -1.3(9) . . . . ?
C51 C52 C53 C54 0.9(11) . . . . ?
C52 C53 C54 C49 -1.0(11) . . . . ?
C54 C49 C50 C43 177.0(6) . . . . ?
C54 C49 C50 C51 -2.1(9) . . . . ?
C55 C48 C49 C50 180.0(6) . . . . ?
C55 C48 C49 C54 1.0(10) . . . . ?
C55 C56 C57 C58 2.6(12) . . . . ?
C56 C57 C58 C47 -2.3(11) . . . . ?
C58 C47 C48 C49 -179.7(6) . . . . ?
C58 C47 C48 C55 0.8(9) . . . . ?
Pt3 N9 C59 C60 42.7(8) . . . . ?
Pt3 N9 C59 C64 -141.0(5) . . . . ?
Pt3 N9 C65 N10 -3.3(9) . . . . ?
Pt3 N11 C72 C73 175.4(4) . . . . ?
Pt3 N11 C72 C79 -3.3(6) . . . . ?
Pt3 N11 C75 C74 -176.1(5) . . . . ?
Pt3 C80 C81 C82 175.8(5) . . . . ?
N9 C59 C60 C61 174.6(6) . . . . ?
N9 C59 C64 C63 -173.9(7) . . . . ?
N10 C66 C67 C68 178.5(8) . . . . ?
N10 C66 C71 C70 -179.7(9) . . . . ?
N11 C72 C73 N12 1.7(8) . . . . ?
N11 C72 C73 C76 -179.5(5) . . . . ?
N11 C72 C79 C78 179.7(5) . . . . ?
N11 C72 C79 C80 -0.9(7) . . . . ?
N12 C73 C76 C77 179.1(5) . . . . ?
N12 C73 C76 C87 -0.7(8) . . . . ?
N12 C74 C75 N11 1.0(10) . . . . ?
C59 N9 C65 N10 172.6(6) . . . . ?
C59 C60 C61 C62 1.6(12) . . . . ?
C60 C59 C64 C63 2.4(11) . . . . ?
C60 C61 C62 C63 -1.8(14) . . . . ?
C61 C62 C63 C64 2.3(14) . . . . ?
C62 C63 C64 C59 -2.7(13) . . . . ?
C64 C59 C60 C61 -1.9(10) . . . . ?
C65 N9 C59 C60 -133.0(7) . . . . ?
C65 N9 C59 C64 43.3(9) . . . . ?
C65 N10 C66 C67 -51.1(12) . . . . ?
C65 N10 C66 C71 128.9(9) . . . . ?
C66 N10 C65 N9 -171.0(7) . . . . ?
C66 C67 C68 C69 1.9(15) . . . . ?
C67 C66 C71 C70 0.3(15) . . . . ?
C67 C68 C69 C70 -0.9(18) . . . . ?
C68 C69 C70 C71 0(2) . . . . ?
C69 C70 C71 C66 0.6(18) . . . . ?
C71 C66 C67 C68 -1.6(13) . . . . ?
C72 N11 C75 C74 -0.3(9) . . . . ?
C72 C73 C76 C77 0.3(8) . . . . ?
C72 C73 C76 C87 -179.5(5) . . . . ?
C72 C79 C80 Pt3 4.6(6) . . . . ?
C72 C79 C80 C81 -179.9(5) . . . . ?
C73 N12 C74 C75 -0.3(10) . . . . ?
C73 C72 C79 C78 1.1(8) . . . . ?
C73 C72 C79 C80 -179.5(5) . . . . ?
C73 C76 C77 C78 0.3(8) . . . . ?
C73 C76 C77 C84 179.5(5) . . . . ?
C73 C76 C87 C86 -179.0(6) . . . . ?
C74 N12 C73 C72 -1.0(8) . . . . ?
C74 N12 C73 C76 -179.8(5) . . . . ?
C75 N11 C72 C73 -1.0(8) . . . . ?
C75 N11 C72 C79 -179.6(5) . . . . ?
C76 C77 C78 C79 -0.3(8) . . . . ?
C76 C77 C78 C83 -179.9(5) . . . . ?
C76 C77 C84 C85 -0.2(9) . . . . ?
C77 C76 C87 C86 1.3(9) . . . . ?
C77 C78 C79 C72 -0.4(8) . . . . ?
C77 C78 C79 C80 -179.8(5) . . . . ?
C77 C78 C83 C82 179.6(6) . . . . ?
C77 C84 C85 C86 0.7(10) . . . . ?
C78 C77 C84 C85 178.9(6) . . . . ?
C78 C79 C80 Pt3 -176.0(4) . . . . ?
C78 C79 C80 C81 -0.4(9) . . . . ?
C79 C72 C73 N12 -179.8(5) . . . . ?
C79 C72 C73 C76 -1.0(8) . . . . ?
C79 C78 C83 C82 -0.1(9) . . . . ?
C79 C80 C81 C82 1.2(9) . . . . ?
C80 C81 C82 C83 -1.5(10) . . . . ?
C81 C82 C83 C78 0.9(10) . . . . ?
C83 C78 C79 C72 179.3(5) . . . . ?
C83 C78 C79 C80 -0.1(8) . . . . ?
C84 C77 C78 C79 -179.4(6) . . . . ?
C84 C77 C78 C83 1.0(9) . . . . ?
C84 C85 C86 C87 -0.2(11) . . . . ?
C85 C86 C87 C76 -0.8(10) . . . . ?
C87 C76 C77 C78 -179.9(5) . . . . ?
C87 C76 C77 C84 -0.8(8) . . . . ?
