#------------------------------------------------------------------------------
#$Date: 2026-03-31 00:09:14 +0200 (Tue 31 de Mar de 2026) $
#$Revision: 305208 $
#$URL: svn://www.crystallography.net/cod/cif/7/13/56/7135681.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_7135681
loop_
_publ_author_name
'Cui, Wenying'
'Zhou, Huimin'
'Roisnel, Thierry'
'Vanthuyne, Nicolas'
'Shen, Chengshuo'
'Grzybowski, Joachim'
'Williams, Gareth'
'Srebro-Hooper, Monika'
'Gisbert, Yohan'
'Crassous, Jeanne'
_publ_section_title
;
 Merging Platinahelicene and Nanographene: A Strategy for Circularly
 Polarized Phosphorescence in the Near-Infrared (NIR)
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D6CC00576D
_journal_year                    2026
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C76 H69 N O2 Pt [+ solvent]'
_chemical_formula_sum            'C76 H69 N O2 Pt'
_chemical_formula_weight         1223.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_update_record
;
2026-01-07 deposited with the CCDC.	2026-03-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 130.259(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.9437(10)
_cell_length_b                   32.6613(17)
_cell_length_c                   27.5799(14)
_cell_measurement_reflns_used    9835
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.4705
_cell_measurement_theta_min      2.3000
_cell_measurement_wavelength     0.710730
_cell_volume                     13709.8(13)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'Bruker APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
;
   'SXGRAPH (L. Farrugia, 1999), Mercury (CSD, 2020)'
;
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2024)'
_computing_structure_refinement  'SHELXL-2019_2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018_2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 CMOS-PHOTON70
_diffrn_detector_area_resol_mean 7.39
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_orient_matrix_UB_11      -0.0088246
_diffrn_orient_matrix_UB_12      -0.0297130
_diffrn_orient_matrix_UB_13      0.0031423
_diffrn_orient_matrix_UB_21      -0.0278675
_diffrn_orient_matrix_UB_22      0.0073197
_diffrn_orient_matrix_UB_23      0.0186479
_diffrn_orient_matrix_UB_31      -0.0588438
_diffrn_orient_matrix_UB_32      0.0009895
_diffrn_orient_matrix_UB_33      -0.0435867
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_unetI/netI     0.0452
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            55031
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         2.302
_diffrn_source_current           1.00
_diffrn_source_power             50.0
_diffrn_source_voltage           50.00
_exptl_absorpt_coefficient_mu    2.089
_exptl_absorpt_correction_T_max  0.920
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_description       board
_exptl_crystal_F_000             5008
_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.756
_refine_diff_density_min         -1.141
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     726
_refine_ls_number_reflns         15624
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.960
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0565P)²+9.0998P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.0915
_reflns_number_gt                12380
_reflns_number_total             15624
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d6cc00576d2.cif
_cod_data_source_block           CWY038
_cod_original_cell_volume        13709.8(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7135681
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.51167(2) 0.22457(2) 0.31488(2) 0.02127(5) Uani 1 1 d . . . . .
O1 O 0.43504(14) 0.17146(6) 0.27836(10) 0.0275(5) Uani 1 1 d . . . . .
C2 C 0.4673(2) 0.13575(9) 0.29699(15) 0.0274(7) Uani 1 1 d . . . . .
C3 C 0.4010(2) 0.10233(10) 0.27291(17) 0.0391(9) Uani 1 1 d . . . . .
H3A H 0.356802 0.111132 0.275945 0.059 Uiso 1 1 calc R U . . .
H3B H 0.430481 0.077623 0.298586 0.059 Uiso 1 1 calc R U . . .
H3C H 0.372224 0.096392 0.228473 0.059 Uiso 1 1 calc R U . . .
C4 C 0.5575(2) 0.12571(9) 0.33651(15) 0.0272(7) Uani 1 1 d . . . . .
H4 H 0.571848 0.097427 0.344397 0.033 Uiso 1 1 calc R U . . .
C5 C 0.6271(2) 0.15283(9) 0.36500(14) 0.0262(7) Uani 1 1 d . . . . .
C6 C 0.7189(2) 0.13741(9) 0.40024(16) 0.0315(7) Uani 1 1 d . . . . .
H6A H 0.736617 0.142424 0.374883 0.047 Uiso 1 1 calc R U . . .
H6B H 0.720964 0.107956 0.407894 0.047 Uiso 1 1 calc R U . . .
H6C H 0.759049 0.151768 0.440965 0.047 Uiso 1 1 calc R U . . .
O7 O 0.62295(14) 0.19203(6) 0.36385(10) 0.0250(5) Uani 1 1 d . . . . .
N11 N 0.41063(17) 0.26313(7) 0.26578(12) 0.0223(5) Uani 1 1 d . . . . .
C12 C 0.3274(2) 0.24979(9) 0.21716(15) 0.0270(7) Uani 1 1 d . . . . .
H12 H 0.316135 0.221202 0.210565 0.032 Uiso 1 1 calc R U . . .
C13 C 0.2606(2) 0.27638(9) 0.17814(15) 0.0284(7) Uani 1 1 d . . . . .
H13 H 0.202183 0.266553 0.147534 0.034 Uiso 1 1 calc R U . . .
C14 C 0.2781(2) 0.31871(9) 0.18308(14) 0.0257(6) Uani 1 1 d . . . . .
C15 C 0.2121(2) 0.34727(10) 0.14004(15) 0.0295(7) Uani 1 1 d . . . . .
H15 H 0.152890 0.338458 0.109171 0.035 Uiso 1 1 calc R U . . .
C16 C 0.2329(2) 0.38762(10) 0.14250(15) 0.0314(7) Uani 1 1 d . . . . .
H16 H 0.187732 0.406808 0.114409 0.038 Uiso 1 1 calc R U . . .
C17 C 0.3202(2) 0.40071(10) 0.18611(15) 0.0304(7) Uani 1 1 d . . . . .
H17 H 0.334535 0.428319 0.185404 0.036 Uiso 1 1 calc R U . . .
C18 C 0.3853(2) 0.37397(9) 0.22990(14) 0.0251(6) Uani 1 1 d . . . . .
H18 H 0.444223 0.383374 0.259733 0.030 Uiso 1 1 calc R U . . .
C19 C 0.3657(2) 0.33232(9) 0.23120(14) 0.0232(6) Uani 1 1 d . . . . .
C20 C 0.43011(19) 0.30344(8) 0.27747(13) 0.0193(6) Uani 1 1 d . . . . .
C21 C 0.52139(19) 0.31102(8) 0.33583(14) 0.0212(6) Uani 1 1 d . . . . .
C22 C 0.55851(19) 0.34691(8) 0.37344(14) 0.0198(6) Uani 1 1 d . . . . .
C23 C 0.50835(19) 0.37896(8) 0.37475(13) 0.0201(6) Uani 1 1 d . . . . .
C24 C 0.42456(19) 0.37164(9) 0.35366(14) 0.0230(6) Uani 1 1 d . . . . .
H24 H 0.401569 0.344628 0.341342 0.028 Uiso 1 1 calc R U . . .
C25 C 0.3728(2) 0.40257(9) 0.34989(15) 0.0260(6) Uani 1 1 d . . . . .
C26 C 0.2799(2) 0.39504(10) 0.32553(16) 0.0304(7) Uani 1 1 d . . . . .
C27 C 0.2772(2) 0.40483(12) 0.37845(18) 0.0416(9) Uani 1 1 d . . . . .
H27A H 0.314824 0.385530 0.413613 0.062 Uiso 1 1 calc R U . . .
H27B H 0.216672 0.402419 0.361991 0.062 Uiso 1 1 calc R U . . .
H27C H 0.298320 0.432806 0.393676 0.062 Uiso 1 1 calc R U . . .
C28 C 0.2161(2) 0.42356(11) 0.26838(17) 0.0397(8) Uani 1 1 d . . . . .
H28A H 0.233433 0.452114 0.281721 0.060 Uiso 1 1 calc R U . . .
H28B H 0.156249 0.419350 0.252526 0.060 Uiso 1 1 calc R U . . .
H28C H 0.218121 0.417328 0.234584 0.060 Uiso 1 1 calc R U . . .
C29 C 0.2484(2) 0.35130(11) 0.3030(2) 0.0437(9) Uani 1 1 d . . . . .
H29A H 0.248635 0.345072 0.268318 0.066 Uiso 1 1 calc R U . . .
H29B H 0.188642 0.348342 0.287778 0.066 Uiso 1 1 calc R U . . .
H29C H 0.287730 0.332337 0.338298 0.066 Uiso 1 1 calc R U . . .
C30 C 0.4092(2) 0.44177(9) 0.36900(15) 0.0273(7) Uani 1 1 d . . . . .
H30 H 0.373753 0.463617 0.364046 0.033 Uiso 1 1 calc R U . . .
C31 C 0.49520(19) 0.45025(8) 0.39503(14) 0.0227(6) Uani 1 1 d . . . . .
C32 C 0.5340(2) 0.49132(8) 0.41762(14) 0.0239(6) Uani 1 1 d . . . . .
C33 C 0.4829(2) 0.52481(9) 0.40792(15) 0.0288(7) Uani 1 1 d . . . . .
H33 H 0.422566 0.520792 0.387202 0.035 Uiso 1 1 calc R U . . .
C34 C 0.5187(2) 0.56395(9) 0.42805(15) 0.0274(7) Uani 1 1 d . . . . .
C35 C 0.4602(2) 0.59987(9) 0.41757(16) 0.0310(7) Uani 1 1 d . . . . .
C36 C 0.4408(3) 0.59444(11) 0.46245(19) 0.0446(9) Uani 1 1 d . . . . .
H36A H 0.403430 0.616974 0.456253 0.067 Uiso 1 1 calc R U . . .
H36B H 0.496029 0.594521 0.506507 0.067 Uiso 1 1 calc R U . . .
H36C H 0.410347 0.568354 0.453389 0.067 Uiso 1 1 calc R U . . .
C37 C 0.5052(3) 0.64155(10) 0.4313(2) 0.0462(10) Uani 1 1 d . . . . .
H37A H 0.465224 0.663484 0.422674 0.069 Uiso 1 1 calc R U . . .
H37B H 0.520276 0.645025 0.404059 0.069 Uiso 1 1 calc R U . . .
H37C H 0.558859 0.642706 0.475997 0.069 Uiso 1 1 calc R U . . .
C38 C 0.3737(3) 0.60042(11) 0.34892(18) 0.0475(10) Uani 1 1 d . . . . .
H38A H 0.341714 0.574863 0.339834 0.071 Uiso 1 1 calc R U . . .
H38B H 0.386145 0.603087 0.319994 0.071 Uiso 1 1 calc R U . . .
H38C H 0.337943 0.623658 0.342920 0.071 Uiso 1 1 calc R U . . .
C39 C 0.6071(2) 0.56887(9) 0.45947(15) 0.0272(7) Uani 1 1 d . . . . .
H39 H 0.631766 0.595533 0.472960 0.033 Uiso 1 1 calc R U . . .
C40 C 0.6616(2) 0.53617(8) 0.47218(14) 0.0243(6) Uani 1 1 d . . . . .
C41 C 0.7557(2) 0.54175(9) 0.50803(14) 0.0239(6) Uani 1 1 d . . . . .
C42 C 0.7963(2) 0.58012(9) 0.53310(16) 0.0287(7) Uani 1 1 d . . . . .
H42 H 0.761165 0.602883 0.525863 0.034 Uiso 1 1 calc R U . . .
C43 C 0.8854(2) 0.58589(9) 0.56787(16) 0.0305(7) Uani 1 1 d . . . . .
C44A C 0.9281(2) 0.62817(10) 0.5960(2) 0.0407(9) Uani 0.5 1 d . . P A 1
C45A C 1.0112(12) 0.6353(6) 0.6060(8) 0.0464(12) Uani 0.5 1 d . . P A 1
H45A H 1.047138 0.610412 0.623153 0.070 Uiso 0.5 1 calc R U P A 1
H45B H 0.995927 0.642239 0.565343 0.070 Uiso 0.5 1 calc R U P A 1
H45C H 1.044445 0.657917 0.636031 0.070 Uiso 0.5 1 calc R U P A 1
C46A C 0.9706(7) 0.6240(2) 0.6713(6) 0.0464(12) Uani 0.5 1 d . . P A 1
H46A H 1.013821 0.601794 0.691926 0.070 Uiso 0.5 1 calc R U P A 1
H46B H 0.999476 0.649817 0.693589 0.070 Uiso 0.5 1 calc R U P A 1
H46C H 0.923690 0.618112 0.672602 0.070 Uiso 0.5 1 calc R U P A 1
C47A C 0.8638(7) 0.6628(3) 0.5699(5) 0.0464(12) Uani 0.5 1 d . . P A 1
H47A H 0.813313 0.654139 0.565812 0.070 Uiso 0.5 1 calc R U P A 1
H47B H 0.892318 0.686298 0.598756 0.070 Uiso 0.5 1 calc R U P A 1
H47C H 0.843800 0.670619 0.528069 0.070 Uiso 0.5 1 calc R U P A 1
C44B C 0.9281(2) 0.62817(10) 0.5960(2) 0.0407(9) Uani 0.5 1 d . . P A 2
C45B C 1.0007(12) 0.6343(6) 0.5928(7) 0.0464(12) Uani 0.5 1 d . . P A 2
H45D H 0.977685 0.628913 0.549472 0.070 Uiso 0.5 1 calc R U P A 2
H45E H 1.022068 0.662618 0.604475 0.070 Uiso 0.5 1 calc R U P A 2
H45F H 1.049229 0.615486 0.622343 0.070 Uiso 0.5 1 calc R U P A 2
C46B C 0.9528(7) 0.6352(2) 0.6575(6) 0.0464(12) Uani 0.5 1 d . . P A 2
H46D H 0.901956 0.630454 0.654787 0.070 Uiso 0.5 1 calc R U P A 2
H46E H 1.000251 0.616342 0.688666 0.070 Uiso 0.5 1 calc R U P A 2
H46F H 0.973089 0.663475 0.670797 0.070 Uiso 0.5 1 calc R U P A 2
C47B C 0.8618(7) 0.6625(3) 0.5465(5) 0.0464(12) Uani 0.5 1 d . . P A 2
H47D H 0.846065 0.657032 0.505283 0.070 Uiso 0.5 1 calc R U P A 2
H47E H 0.808602 0.662087 0.541662 0.070 Uiso 0.5 1 calc R U P A 2
H47F H 0.889846 0.689396 0.561995 0.070 Uiso 0.5 1 calc R U P A 2
C48 C 0.9354(2) 0.55253(9) 0.57785(16) 0.0319(7) Uani 1 1 d . . . B 2
H48 H 0.996799 0.556152 0.601857 0.038 Uiso 1 1 calc R U . B 2
C49 C 0.8994(2) 0.51366(9) 0.55400(15) 0.0259(7) Uani 1 1 d . . . B 2
C50 C 0.9537(2) 0.47885(9) 0.56403(14) 0.0246(6) Uani 1 1 d . . . B 2
C51 C 1.0426(2) 0.48357(9) 0.59470(16) 0.0286(7) Uani 1 1 d . . . B 2
H51 H 1.068304 0.509915 0.610159 0.034 Uiso 1 1 calc R U . B 2
C52 C 1.0951(2) 0.45147(9) 0.60362(15) 0.0278(7) Uani 1 1 d . . . B 2
C53A C 1.1924(2) 0.45820(10) 0.63772(18) 0.0370(8) Uani 0.5 1 d . . P C 1
C54A C 1.2059(7) 0.5033(3) 0.6224(6) 0.0464(9) Uani 0.5 1 d . . P C 1
H54A H 1.169046 0.506759 0.576358 0.070 Uiso 0.5 1 calc R U P C 1
H54B H 1.189258 0.523636 0.639124 0.070 Uiso 0.5 1 calc R U P C 1
H54C H 1.267750 0.507168 0.642481 0.070 Uiso 0.5 1 calc R U P C 1
C55A C 1.2447(5) 0.4514(3) 0.7044(4) 0.0464(9) Uani 0.5 1 d . . P C 1
H55A H 1.225858 0.470030 0.721384 0.070 Uiso 0.5 1 calc R U P C 1
H55B H 1.237522 0.423016 0.711812 0.070 Uiso 0.5 1 calc R U P C 1
H55C H 1.306619 0.456485 0.725607 0.070 Uiso 0.5 1 calc R U P C 1
C56A C 1.2223(5) 0.4283(2) 0.6098(4) 0.0464(9) Uani 0.5 1 d . . P C 1
H56A H 1.186185 0.433134 0.564071 0.070 Uiso 0.5 1 calc R U P C 1
H56B H 1.284170 0.433370 0.630911 0.070 Uiso 0.5 1 calc R U P C 1
H56C H 1.215073 0.399900 0.617116 0.070 Uiso 0.5 1 calc R U P C 1
C53B C 1.1924(2) 0.45820(10) 0.63772(18) 0.0370(8) Uani 0.5 1 d . . P B 2
C54B C 1.2077(7) 0.4914(3) 0.6131(6) 0.0464(9) Uani 0.5 1 d . . P B 2
H54D H 1.270968 0.494135 0.636818 0.070 Uiso 0.5 1 calc R U P B 2
H54E H 1.177474 0.486481 0.568170 0.070 Uiso 0.5 1 calc R U P B 2
H54F H 1.185344 0.516681 0.617334 0.070 Uiso 0.5 1 calc R U P B 2
C55B C 1.2388(5) 0.4746(3) 0.7109(4) 0.0464(9) Uani 0.5 1 d . . P B 2
H55D H 1.232062 0.453646 0.732920 0.070 Uiso 0.5 1 calc R U P B 2
H55E H 1.301363 0.479855 0.734630 0.070 Uiso 0.5 1 calc R U P B 2
H55F H 1.209966 0.499931 0.707975 0.070 Uiso 0.5 1 calc R U P B 2
C56B C 1.2470(5) 0.4174(2) 0.6614(4) 0.0464(9) Uani 0.5 1 d . . P B 2
H56D H 1.225633 0.398636 0.676454 0.070 Uiso 0.5 1 calc R U P B 2
H56E H 1.240308 0.404717 0.626307 0.070 Uiso 0.5 1 calc R U P B 2
H56F H 1.309184 0.423548 0.696243 0.070 Uiso 0.5 1 calc R U P B 2
C57 C 1.0562(2) 0.41317(9) 0.58217(15) 0.0270(7) Uani 1 1 d . . . . .
H57 H 1.091195 0.390688 0.588281 0.032 Uiso 1 1 calc R U . B 2
C58 C 0.9687(2) 0.40624(8) 0.55223(14) 0.0218(6) Uani 1 1 d . . . . .
C59 C 0.9291(2) 0.36514(9) 0.53077(14) 0.0221(6) Uani 1 1 d . . . . .
C60 C 0.9799(2) 0.33088(9) 0.54245(14) 0.0241(6) Uani 1 1 d . . . . .
H60 H 1.040839 0.334408 0.564810 0.029 Uiso 1 1 calc R U . . .
C61 C 0.94397(19) 0.29200(8) 0.52238(14) 0.0220(6) Uani 1 1 d . . . . .
C62 C 1.0020(2) 0.25531(9) 0.53407(15) 0.0263(7) Uani 1 1 d . . . . .
C63 C 1.0260(2) 0.26060(10) 0.49182(17) 0.0347(8) Uani 1 1 d . . . . .
H63A H 1.061421 0.237231 0.497711 0.052 Uiso 1 1 calc R U . . .
H63B H 1.059686 0.285912 0.503414 0.052 Uiso 1 1 calc R U . . .
H63C H 0.972133 0.262033 0.447239 0.052 Uiso 1 1 calc R U . . .
C64 C 0.9544(2) 0.21458(9) 0.51833(18) 0.0339(8) Uani 1 1 d . . . . .
H64A H 0.901627 0.214188 0.473323 0.051 Uiso 1 1 calc R U . . .
H64B H 0.937601 0.211254 0.544547 0.051 Uiso 1 1 calc R U . . .
H64C H 0.993452 0.192120 0.527017 0.051 Uiso 1 1 calc R U . . .
C65 C 1.0865(2) 0.25436(10) 0.60416(16) 0.0350(8) Uani 1 1 d . . . . .
H65A H 1.122360 0.230793 0.611329 0.052 Uiso 1 1 calc R U . . .
H65B H 1.071137 0.252039 0.631379 0.052 Uiso 1 1 calc R U . . .
H65C H 1.119806 0.279643 0.614411 0.052 Uiso 1 1 calc R U . . .
C66 C 0.8547(2) 0.28743(8) 0.48930(14) 0.0236(6) Uani 1 1 d . . . . .
H66 H 0.829457 0.260855 0.476019 0.028 Uiso 1 1 calc R U . . .
C67 C 0.80091(19) 0.32085(8) 0.47501(13) 0.0202(6) Uani 1 1 d . . . . .
C68 C 0.70529(19) 0.31630(8) 0.43225(13) 0.0204(6) Uani 1 1 d . . . . .
C69 C 0.6645(2) 0.27890(8) 0.40386(14) 0.0217(6) Uani 1 1 d . . . . .
H69 H 0.699386 0.254813 0.418423 0.026 Uiso 1 1 calc R U . . .
C70 C 0.5749(2) 0.27594(8) 0.35511(14) 0.0200(6) Uani 1 1 d . . . . .
C71 C 0.65171(19) 0.35083(8) 0.41743(13) 0.0198(6) Uani 1 1 d . . . . .
C72 C 0.69236(19) 0.38983(8) 0.44609(13) 0.0201(6) Uani 1 1 d . . . . .
C73 C 0.63929(19) 0.42398(8) 0.43449(13) 0.0201(6) Uani 1 1 d . . . . .
C74 C 0.54741(19) 0.41776(8) 0.40041(14) 0.0205(6) Uani 1 1 d . . . . .
C75 C 0.67839(19) 0.46256(8) 0.46009(14) 0.0208(6) Uani 1 1 d . . . . .
C76 C 0.62415(19) 0.49673(8) 0.44958(14) 0.0218(6) Uani 1 1 d . . . . .
C77 C 0.76943(19) 0.46791(8) 0.49524(14) 0.0214(6) Uani 1 1 d . . . . .
C78 C 0.8083(2) 0.50778(8) 0.51931(15) 0.0236(6) Uani 1 1 d . . . . .
C79 C 0.82222(19) 0.43409(8) 0.50700(13) 0.0200(6) Uani 1 1 d . . . . .
C80 C 0.91489(19) 0.43963(8) 0.54157(13) 0.0213(6) Uani 1 1 d . . . . .
C81 C 0.78416(18) 0.39485(8) 0.48356(13) 0.0187(6) Uani 1 1 d . . . . .
C82 C 0.83860(19) 0.36015(8) 0.49745(13) 0.0205(6) Uani 1 1 d . . . . .
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'
Pt Pt -1.7033 8.3905 '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
C70 Pt1 N11 80.85(11) . . ?
C70 Pt1 O7 92.62(10) . . ?
N11 Pt1 O7 171.81(9) . . ?
C70 Pt1 O1 170.89(11) . . ?
N11 Pt1 O1 95.38(9) . . ?
O7 Pt1 O1 91.78(8) . . ?
C2 O1 Pt1 123.1(2) . . ?
O1 C2 C4 125.8(3) . . ?
O1 C2 C3 114.7(3) . . ?
C4 C2 C3 119.5(3) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C2 126.8(3) . . ?
C5 C4 H4 116.6 . . ?
C2 C4 H4 116.6 . . ?
O7 C5 C4 126.8(3) . . ?
O7 C5 C6 112.6(3) . . ?
C4 C5 C6 120.6(3) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 O7 Pt1 125.0(2) . . ?
C20 N11 C12 121.6(3) . . ?
C20 N11 Pt1 116.48(19) . . ?
C12 N11 Pt1 121.3(2) . . ?
C13 C12 N11 121.5(3) . . ?
C13 C12 H12 119.2 . . ?
N11 C12 H12 119.2 . . ?
C12 C13 C14 119.8(3) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C13 C14 C15 121.9(3) . . ?
C13 C14 C19 118.4(3) . . ?
C15 C14 C19 119.7(3) . . ?
C16 C15 C14 120.4(3) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.4(3) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C18 C17 C16 120.5(3) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 120.8(3) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C14 C19 C18 117.9(3) . . ?
C14 C19 C20 118.7(3) . . ?
C18 C19 C20 123.3(3) . . ?
N11 C20 C19 118.4(3) . . ?
N11 C20 C21 112.7(2) . . ?
C19 C20 C21 128.7(3) . . ?
C70 C21 C22 119.0(3) . . ?
C70 C21 C20 111.9(2) . . ?
C22 C21 C20 129.1(2) . . ?
C21 C22 C71 118.4(2) . . ?
C21 C22 C23 124.6(3) . . ?
C71 C22 C23 116.8(2) . . ?
C24 C23 C74 119.2(3) . . ?
C24 C23 C22 121.5(3) . . ?
C74 C23 C22 119.2(3) . . ?
C23 C24 C25 122.4(3) . . ?
C23 C24 H24 118.8 . . ?
C25 C24 H24 118.8 . . ?
C30 C25 C24 117.1(3) . . ?
C30 C25 C26 120.0(3) . . ?
C24 C25 C26 122.9(3) . . ?
C29 C26 C27 109.1(3) . . ?
C29 C26 C25 113.1(3) . . ?
C27 C26 C25 109.1(3) . . ?
C29 C26 C28 107.4(3) . . ?
C27 C26 C28 109.6(3) . . ?
C25 C26 C28 108.5(3) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C25 122.9(3) . . ?
C31 C30 H30 118.6 . . ?
C25 C30 H30 118.6 . . ?
C30 C31 C74 118.6(3) . . ?
C30 C31 C32 122.4(3) . . ?
C74 C31 C32 119.0(3) . . ?
C33 C32 C76 119.9(3) . . ?
C33 C32 C31 120.9(3) . . ?
C76 C32 C31 119.2(3) . . ?
C34 C33 C32 121.2(3) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C39 C34 C33 118.3(3) . . ?
C39 C34 C35 122.2(3) . . ?
C33 C34 C35 119.4(3) . . ?
C36 C35 C38 109.4(3) . . ?
C36 C35 C37 108.5(3) . . ?
C38 C35 C37 107.8(3) . . ?
C36 C35 C34 108.5(3) . . ?
C38 C35 C34 110.6(3) . . ?
C37 C35 C34 112.1(3) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C34 C39 C40 122.6(3) . . ?
C34 C39 H39 118.7 . . ?
C40 C39 H39 118.7 . . ?
C39 C40 C76 118.8(3) . . ?
C39 C40 C41 121.7(3) . . ?
C76 C40 C41 119.5(3) . . ?
C42 C41 C78 118.7(3) . . ?
C42 C41 C40 121.6(3) . . ?
C78 C41 C40 119.8(3) . . ?
C43 C42 C41 122.4(3) . . ?
C43 C42 H42 118.8 . . ?
C41 C42 H42 118.8 . . ?
C48 C43 C42 118.1(3) . . ?
C42 C43 C44A 121.0(3) . . ?
C48 C43 C44B 120.9(3) . . ?
C42 C43 C44B 121.0(3) . . ?
C47A C44A C45A 117.9(10) . . ?
C47A C44A C43 114.3(4) . . ?
C45A C44A C43 114.4(7) . . ?
C47A C44A C46A 104.4(5) . . ?
C45A C44A C46A 99.8(7) . . ?
C43 C44A C46A 103.1(4) . . ?
C44A C45A H45A 109.5 . . ?
C44A C45A H45B 109.5 . . ?
H45A C45A H45B 109.5 . . ?
C44A C45A H45C 109.5 . . ?
H45A C45A H45C 109.5 . . ?
H45B C45A H45C 109.5 . . ?
C44A C46A H46A 109.5 . . ?
C44A C46A H46B 109.5 . . ?
H46A C46A H46B 109.5 . . ?
C44A C46A H46C 109.5 . . ?
H46A C46A H46C 109.5 . . ?
H46B C46A H46C 109.5 . . ?
C44A C47A H47A 109.5 . . ?
C44A C47A H47B 109.5 . . ?
H47A C47A H47B 109.5 . . ?
C44A C47A H47C 109.5 . . ?
H47A C47A H47C 109.5 . . ?
H47B C47A H47C 109.5 . . ?
C46B C44B C45B 115.6(7) . . ?
C46B C44B C43 113.0(4) . . ?
C45B C44B C43 109.0(7) . . ?
C46B C44B C47B 111.1(5) . . ?
C45B C44B C47B 98.7(9) . . ?
C43 C44B C47B 108.4(4) . . ?
C44B C45B H45D 109.5 . . ?
C44B C45B H45E 109.5 . . ?
H45D C45B H45E 109.5 . . ?
C44B C45B H45F 109.5 . . ?
H45D C45B H45F 109.5 . . ?
H45E C45B H45F 109.5 . . ?
C44B C46B H46D 109.5 . . ?
C44B C46B H46E 109.5 . . ?
H46D C46B H46E 109.5 . . ?
C44B C46B H46F 109.5 . . ?
H46D C46B H46F 109.5 . . ?
H46E C46B H46F 109.5 . . ?
C44B C47B H47D 109.5 . . ?
C44B C47B H47E 109.5 . . ?
H47D C47B H47E 109.5 . . ?
C44B C47B H47F 109.5 . . ?
H47D C47B H47F 109.5 . . ?
H47E C47B H47F 109.5 . . ?
C43 C48 C49 122.5(3) . . ?
C43 C48 H48 118.7 . . ?
C49 C48 H48 118.7 . . ?
C48 C49 C78 119.2(3) . . ?
C48 C49 C50 121.5(3) . . ?
C78 C49 C50 119.4(3) . . ?
C51 C50 C80 119.1(3) . . ?
C51 C50 C49 121.5(3) . . ?
C80 C50 C49 119.4(3) . . ?
C52 C51 C50 122.8(3) . . ?
C52 C51 H51 118.6 . . ?
C50 C51 H51 118.6 . . ?
C57 C52 C51 117.2(3) . . ?
C57 C52 C53B 121.9(3) . . ?
C51 C52 C53B 120.9(3) . . ?
C55A C53A C56A 109.9(5) . . ?
C55A C53A C54A 112.0(6) . . ?
C56A C53A C54A 105.1(5) . . ?
C53A C54A H54A 109.5 . . ?
C53A C54A H54B 109.5 . . ?
H54A C54A H54B 109.5 . . ?
C53A C54A H54C 109.5 . . ?
H54A C54A H54C 109.5 . . ?
H54B C54A H54C 109.5 . . ?
C53A C55A H55A 109.5 . . ?
C53A C55A H55B 109.5 . . ?
H55A C55A H55B 109.5 . . ?
C53A C55A H55C 109.5 . . ?
H55A C55A H55C 109.5 . . ?
H55B C55A H55C 109.5 . . ?
C53A C56A H56A 109.5 . . ?
C53A C56A H56B 109.5 . . ?
H56A C56A H56B 109.5 . . ?
C53A C56A H56C 109.5 . . ?
H56A C56A H56C 109.5 . . ?
H56B C56A H56C 109.5 . . ?
C54B C53B C52 113.4(5) . . ?
C54B C53B C56B 123.0(6) . . ?
C52 C53B C56B 113.4(4) . . ?
C54B C53B C55B 102.2(5) . . ?
C52 C53B C55B 106.2(4) . . ?
C56B C53B C55B 94.3(5) . . ?
C53B C54B H54D 109.5 . . ?
C53B C54B H54E 109.5 . . ?
H54D C54B H54E 109.5 . . ?
C53B C54B H54F 109.5 . . ?
H54D C54B H54F 109.5 . . ?
H54E C54B H54F 109.5 . . ?
C53B C55B H55D 109.5 . . ?
C53B C55B H55E 109.5 . . ?
H55D C55B H55E 109.5 . . ?
C53B C55B H55F 109.5 . . ?
H55D C55B H55F 109.5 . . ?
H55E C55B H55F 109.5 . . ?
C53B C56B H56D 109.5 . . ?
C53B C56B H56E 109.5 . . ?
H56D C56B H56E 109.5 . . ?
C53B C56B H56F 109.5 . . ?
H56D C56B H56F 109.5 . . ?
H56E C56B H56F 109.5 . . ?
C58 C57 C52 122.9(3) . . ?
C58 C57 H57 118.5 . . ?
C52 C57 H57 118.5 . . ?
C57 C58 C80 119.3(3) . . ?
C57 C58 C59 122.0(3) . . ?
C80 C58 C59 118.6(3) . . ?
C60 C59 C82 119.3(3) . . ?
C60 C59 C58 121.0(3) . . ?
C82 C59 C58 119.7(3) . . ?
C61 C60 C59 122.0(3) . . ?
C61 C60 H60 119.0 . . ?
C59 C60 H60 119.0 . . ?
C60 C61 C66 118.3(3) . . ?
C60 C61 C62 120.1(3) . . ?
C66 C61 C62 121.5(3) . . ?
C64 C62 C63 109.0(3) . . ?
C64 C62 C65 108.3(3) . . ?
C63 C62 C65 109.4(3) . . ?
C64 C62 C61 111.8(3) . . ?
C63 C62 C61 108.3(2) . . ?
C65 C62 C61 110.0(2) . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C62 C64 H64A 109.5 . . ?
C62 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C62 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C62 C65 H65A 109.5 . . ?
C62 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C62 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C61 C66 C67 121.8(3) . . ?
C61 C66 H66 119.1 . . ?
C67 C66 H66 119.1 . . ?
C66 C67 C82 119.5(3) . . ?
C66 C67 C68 120.7(3) . . ?
C82 C67 C68 119.5(2) . . ?
C69 C68 C71 118.5(3) . . ?
C69 C68 C67 121.6(2) . . ?
C71 C68 C67 119.8(2) . . ?
C70 C69 C68 121.8(3) . . ?
C70 C69 H69 119.1 . . ?
C68 C69 H69 119.1 . . ?
C69 C70 C21 119.8(2) . . ?
C69 C70 Pt1 124.5(2) . . ?
C21 C70 Pt1 115.4(2) . . ?
C68 C71 C22 119.9(2) . . ?
C68 C71 C72 119.5(3) . . ?
C22 C71 C72 120.6(2) . . ?
C81 C72 C73 119.8(2) . . ?
C81 C72 C71 120.5(2) . . ?
C73 C72 C71 119.7(3) . . ?
C75 C73 C72 119.8(3) . . ?
C75 C73 C74 121.0(2) . . ?
C72 C73 C74 119.1(2) . . ?
C23 C74 C31 119.1(3) . . ?
C23 C74 C73 120.8(3) . . ?
C31 C74 C73 120.1(3) . . ?
C73 C75 C77 120.3(3) . . ?
C73 C75 C76 119.3(3) . . ?
C77 C75 C76 120.4(2) . . ?
C32 C76 C40 119.0(3) . . ?
C32 C76 C75 120.9(3) . . ?
C40 C76 C75 120.0(3) . . ?
C75 C77 C79 119.9(3) . . ?
C75 C77 C78 120.0(3) . . ?
C79 C77 C78 120.1(3) . . ?
C49 C78 C41 119.1(3) . . ?
C49 C78 C77 120.5(3) . . ?
C41 C78 C77 120.3(3) . . ?
C77 C79 C81 120.2(3) . . ?
C77 C79 C80 120.0(2) . . ?
C81 C79 C80 119.7(2) . . ?
C50 C80 C58 118.6(3) . . ?
C50 C80 C79 120.5(3) . . ?
C58 C80 C79 120.9(3) . . ?
C72 C81 C79 119.8(2) . . ?
C72 C81 C82 120.0(2) . . ?
C79 C81 C82 120.1(3) . . ?
C59 C82 C67 119.1(3) . . ?
C59 C82 C81 120.7(3) . . ?
C67 C82 C81 120.2(3) . . ?
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 C70 1.956(3) . ?
Pt1 N11 1.988(2) . ?
Pt1 O7 2.001(2) . ?
Pt1 O1 2.090(2) . ?
O1 C2 1.269(4) . ?
C2 C4 1.413(5) . ?
C2 C3 1.499(4) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.386(4) . ?
C4 H4 0.9500 . ?
C5 O7 1.282(3) . ?
C5 C6 1.499(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
N11 C20 1.351(4) . ?
N11 C12 1.366(4) . ?
C12 C13 1.354(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.411(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.412(4) . ?
C14 C19 1.419(4) . ?
C15 C16 1.370(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.398(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.371(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.422(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.432(4) . ?
C20 C21 1.476(4) . ?
C21 C70 1.414(4) . ?
C21 C22 1.416(4) . ?
C22 C71 1.424(4) . ?
C22 C23 1.464(4) . ?
C23 C24 1.390(4) . ?
C23 C74 1.415(4) . ?
C24 C25 1.399(4) . ?
C24 H24 0.9500 . ?
C25 C30 1.396(4) . ?
C25 C26 1.530(4) . ?
C26 C29 1.522(4) . ?
C26 C27 1.528(5) . ?
C26 C28 1.542(5) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.394(4) . ?
C30 H30 0.9500 . ?
C31 C74 1.426(4) . ?
C31 C32 1.471(4) . ?
C32 C33 1.399(4) . ?
C32 C76 1.411(4) . ?
C33 C34 1.393(4) . ?
C33 H33 0.9500 . ?
C34 C39 1.382(4) . ?
C34 C35 1.545(4) . ?
C35 C36 1.527(5) . ?
C35 C38 1.529(5) . ?
C35 C37 1.538(5) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.397(4) . ?
C39 H39 0.9500 . ?
C40 C76 1.416(4) . ?
C40 C41 1.461(4) . ?
C41 C42 1.407(4) . ?
C41 C78 1.418(4) . ?
C42 C43 1.382(5) . ?
C42 H42 0.9500 . ?
C43 C48 1.380(4) . ?
C43 C44A 1.543(4) . ?
C43 C44B 1.543(4) . ?
C44A C47A 1.500(11) . ?
C44A C45A 1.513(19) . ?
C44A C46A 1.664(14) . ?
C45A H45A 0.9800 . ?
C45A H45B 0.9800 . ?
C45A H45C 0.9800 . ?
C46A H46A 0.9800 . ?
C46A H46B 0.9800 . ?
C46A H46C 0.9800 . ?
C47A H47A 0.9800 . ?
C47A H47B 0.9800 . ?
C47A H47C 0.9800 . ?
C44B C46B 1.446(14) . ?
C44B C45B 1.52(2) . ?
C44B C47B 1.592(11) . ?
C45B H45D 0.9800 . ?
C45B H45E 0.9800 . ?
C45B H45F 0.9800 . ?
C46B H46D 0.9800 . ?
C46B H46E 0.9800 . ?
C46B H46F 0.9800 . ?
C47B H47D 0.9800 . ?
C47B H47E 0.9800 . ?
C47B H47F 0.9800 . ?
C48 C49 1.397(4) . ?
C48 H48 0.9500 . ?
C49 C78 1.415(4) . ?
C49 C50 1.468(4) . ?
C50 C51 1.394(4) . ?
C50 C80 1.416(4) . ?
C51 C52 1.387(4) . ?
C51 H51 0.9500 . ?
C52 C57 1.387(4) . ?
C52 C53B 1.531(5) . ?
C53A C55A 1.427(9) . ?
C53A C56A 1.579(8) . ?
C53A C54A 1.603(11) . ?
C54A H54A 0.9800 . ?
C54A H54B 0.9800 . ?
C54A H54C 0.9800 . ?
C55A H55A 0.9800 . ?
C55A H55B 0.9800 . ?
C55A H55C 0.9800 . ?
C56A H56A 0.9800 . ?
C56A H56B 0.9800 . ?
C56A H56C 0.9800 . ?
C53B C54B 1.413(12) . ?
C53B C56B 1.570(8) . ?
C53B C55B 1.675(9) . ?
C54B H54D 0.9800 . ?
C54B H54E 0.9800 . ?
C54B H54F 0.9800 . ?
C55B H55D 0.9800 . ?
C55B H55E 0.9800 . ?
C55B H55F 0.9800 . ?
C56B H56D 0.9800 . ?
C56B H56E 0.9800 . ?
C56B H56F 0.9800 . ?
C57 C58 1.385(4) . ?
C57 H57 0.9500 . ?
C58 C80 1.421(4) . ?
C58 C59 1.474(4) . ?
C59 C60 1.400(4) . ?
C59 C82 1.408(4) . ?
C60 C61 1.386(4) . ?
C60 H60 0.9500 . ?
C61 C66 1.388(4) . ?
C61 C62 1.548(4) . ?
C62 C64 1.525(4) . ?
C62 C63 1.528(5) . ?
C62 C65 1.538(4) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 C67 1.397(4) . ?
C66 H66 0.9500 . ?
C67 C82 1.412(4) . ?
C67 C68 1.464(4) . ?
C68 C69 1.394(4) . ?
C68 C71 1.420(4) . ?
C69 C70 1.381(4) . ?
C69 H69 0.9500 . ?
C71 C72 1.441(4) . ?
C72 C81 1.415(4) . ?
C72 C73 1.424(4) . ?
C73 C75 1.408(4) . ?
C73 C74 1.434(4) . ?
C75 C77 1.411(4) . ?
C75 C76 1.447(4) . ?
C77 C79 1.412(4) . ?
C77 C78 1.440(4) . ?
C79 C81 1.415(4) . ?
C79 C80 1.442(4) . ?
C81 C82 1.440(4) . ?
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 O1 C2 C4 -10.3(5) . . . . ?
Pt1 O1 C2 C3 170.4(2) . . . . ?
O1 C2 C4 C5 3.9(6) . . . . ?
C3 C2 C4 C5 -176.9(3) . . . . ?
C2 C4 C5 O7 4.6(6) . . . . ?
C2 C4 C5 C6 -173.5(3) . . . . ?
C4 C5 O7 Pt1 -4.3(5) . . . . ?
C6 C5 O7 Pt1 173.89(19) . . . . ?
C20 N11 C12 C13 0.4(5) . . . . ?
Pt1 N11 C12 C13 -170.9(3) . . . . ?
N11 C12 C13 C14 6.7(5) . . . . ?
C12 C13 C14 C15 174.5(3) . . . . ?
C12 C13 C14 C19 -2.7(5) . . . . ?
C13 C14 C15 C16 -173.9(3) . . . . ?
C19 C14 C15 C16 3.2(5) . . . . ?
C14 C15 C16 C17 2.4(5) . . . . ?
C15 C16 C17 C18 -4.6(5) . . . . ?
C16 C17 C18 C19 1.1(5) . . . . ?
C13 C14 C19 C18 170.7(3) . . . . ?
C15 C14 C19 C18 -6.5(4) . . . . ?
C13 C14 C19 C20 -7.8(4) . . . . ?
C15 C14 C19 C20 175.0(3) . . . . ?
C17 C18 C19 C14 4.4(4) . . . . ?
C17 C18 C19 C20 -177.2(3) . . . . ?
C12 N11 C20 C19 -11.1(4) . . . . ?
Pt1 N11 C20 C19 160.7(2) . . . . ?
C12 N11 C20 C21 174.2(3) . . . . ?
Pt1 N11 C20 C21 -14.1(3) . . . . ?
C14 C19 C20 N11 14.6(4) . . . . ?
C18 C19 C20 N11 -163.8(3) . . . . ?
C14 C19 C20 C21 -171.7(3) . . . . ?
C18 C19 C20 C21 10.0(5) . . . . ?
N11 C20 C21 C70 18.3(4) . . . . ?
C19 C20 C21 C70 -155.7(3) . . . . ?
N11 C20 C21 C22 -159.7(3) . . . . ?
C19 C20 C21 C22 26.3(5) . . . . ?
C70 C21 C22 C71 18.5(4) . . . . ?
C20 C21 C22 C71 -163.6(3) . . . . ?
C70 C21 C22 C23 -155.6(3) . . . . ?
C20 C21 C22 C23 22.3(5) . . . . ?
C21 C22 C23 C24 19.0(4) . . . . ?
C71 C22 C23 C24 -155.1(3) . . . . ?
C21 C22 C23 C74 -163.5(3) . . . . ?
C71 C22 C23 C74 22.3(4) . . . . ?
C74 C23 C24 C25 7.6(4) . . . . ?
C22 C23 C24 C25 -175.0(3) . . . . ?
C23 C24 C25 C30 -0.6(5) . . . . ?
C23 C24 C25 C26 178.8(3) . . . . ?
C30 C25 C26 C29 176.5(3) . . . . ?
C24 C25 C26 C29 -2.9(5) . . . . ?
C30 C25 C26 C27 -61.9(4) . . . . ?
C24 C25 C26 C27 118.7(3) . . . . ?
C30 C25 C26 C28 57.4(4) . . . . ?
C24 C25 C26 C28 -121.9(3) . . . . ?
C24 C25 C30 C31 -4.4(5) . . . . ?
C26 C25 C30 C31 176.2(3) . . . . ?
C25 C30 C31 C74 2.2(5) . . . . ?
C25 C30 C31 C32 -177.2(3) . . . . ?
C30 C31 C32 C33 -6.6(5) . . . . ?
C74 C31 C32 C33 174.0(3) . . . . ?
C30 C31 C32 C76 173.3(3) . . . . ?
C74 C31 C32 C76 -6.1(4) . . . . ?
C76 C32 C33 C34 1.4(5) . . . . ?
C31 C32 C33 C34 -178.8(3) . . . . ?
C32 C33 C34 C39 -1.6(5) . . . . ?
C32 C33 C34 C35 -178.7(3) . . . . ?
C39 C34 C35 C36 -106.3(4) . . . . ?
C33 C34 C35 C36 70.7(4) . . . . ?
C39 C34 C35 C38 133.8(4) . . . . ?
C33 C34 C35 C38 -49.2(4) . . . . ?
C39 C34 C35 C37 13.4(5) . . . . ?
C33 C34 C35 C37 -169.5(3) . . . . ?
C33 C34 C39 C40 -0.6(5) . . . . ?
C35 C34 C39 C40 176.5(3) . . . . ?
C34 C39 C40 C76 2.9(5) . . . . ?
C34 C39 C40 C41 -177.1(3) . . . . ?
C39 C40 C41 C42 1.9(5) . . . . ?
C76 C40 C41 C42 -178.0(3) . . . . ?
C39 C40 C41 C78 -179.4(3) . . . . ?
C76 C40 C41 C78 0.6(5) . . . . ?
C78 C41 C42 C43 0.5(5) . . . . ?
C40 C41 C42 C43 179.1(3) . . . . ?
C41 C42 C43 C48 0.1(5) . . . . ?
C41 C42 C43 C44A -178.5(3) . . . . ?
C41 C42 C43 C44B -178.5(3) . . . . ?
C42 C43 C44A C47A -13.8(6) . . . . ?
C42 C43 C44A C45A -153.9(9) . . . . ?
C42 C43 C44A C46A 98.9(5) . . . . ?
C48 C43 C44B C46B -92.6(6) . . . . ?
C42 C43 C44B C46B 86.0(6) . . . . ?
C48 C43 C44B C45B 37.4(9) . . . . ?
C42 C43 C44B C45B -144.0(8) . . . . ?
C48 C43 C44B C47B 143.8(5) . . . . ?
C42 C43 C44B C47B -37.6(6) . . . . ?
C42 C43 C48 C49 0.3(5) . . . . ?
C44B C43 C48 C49 179.0(3) . . . . ?
C43 C48 C49 C78 -1.3(5) . . . . ?
C43 C48 C49 C50 178.6(3) . . . . ?
C48 C49 C50 C51 -3.6(5) . . . . ?
C78 C49 C50 C51 176.3(3) . . . . ?
C48 C49 C50 C80 177.0(3) . . . . ?
C78 C49 C50 C80 -3.1(5) . . . . ?
C80 C50 C51 C52 0.9(5) . . . . ?
C49 C50 C51 C52 -178.5(3) . . . . ?
C50 C51 C52 C57 -1.8(5) . . . . ?
C50 C51 C52 C53B -179.9(3) . . . . ?
C57 C52 C53B C54B 131.1(5) . . . . ?
C51 C52 C53B C54B -50.9(6) . . . . ?
C57 C52 C53B C56B -15.3(6) . . . . ?
C51 C52 C53B C56B 162.7(4) . . . . ?
C57 C52 C53B C55B -117.5(4) . . . . ?
C51 C52 C53B C55B 60.5(5) . . . . ?
C51 C52 C57 C58 0.8(5) . . . . ?
C53B C52 C57 C58 178.8(3) . . . . ?
C52 C57 C58 C80 1.2(5) . . . . ?
C52 C57 C58 C59 -178.9(3) . . . . ?
C57 C58 C59 C60 2.9(4) . . . . ?
C80 C58 C59 C60 -177.3(3) . . . . ?
C57 C58 C59 C82 -176.5(3) . . . . ?
C80 C58 C59 C82 3.4(4) . . . . ?
C82 C59 C60 C61 -0.2(5) . . . . ?
C58 C59 C60 C61 -179.6(3) . . . . ?
C59 C60 C61 C66 0.6(5) . . . . ?
C59 C60 C61 C62 177.6(3) . . . . ?
C60 C61 C62 C64 170.8(3) . . . . ?
C66 C61 C62 C64 -12.3(4) . . . . ?
C60 C61 C62 C63 -69.1(4) . . . . ?
C66 C61 C62 C63 107.8(3) . . . . ?
C60 C61 C62 C65 50.3(4) . . . . ?
C66 C61 C62 C65 -132.7(3) . . . . ?
C60 C61 C66 C67 1.3(5) . . . . ?
C62 C61 C66 C67 -175.7(3) . . . . ?
C61 C66 C67 C82 -3.3(5) . . . . ?
C61 C66 C67 C68 170.9(3) . . . . ?
C66 C67 C68 C69 -0.7(4) . . . . ?
C82 C67 C68 C69 173.5(3) . . . . ?
C66 C67 C68 C71 -178.9(3) . . . . ?
C82 C67 C68 C71 -4.6(4) . . . . ?
C71 C68 C69 C70 10.0(5) . . . . ?
C67 C68 C69 C70 -168.1(3) . . . . ?
C68 C69 C70 C21 -4.3(5) . . . . ?
C68 C69 C70 Pt1 -177.4(2) . . . . ?
C22 C21 C70 C69 -10.2(5) . . . . ?
C20 C21 C70 C69 171.5(3) . . . . ?
C22 C21 C70 Pt1 163.5(2) . . . . ?
C20 C21 C70 Pt1 -14.7(3) . . . . ?
C69 C68 C71 C22 -1.3(4) . . . . ?
C67 C68 C71 C22 176.9(3) . . . . ?
C69 C68 C71 C72 -179.8(3) . . . . ?
C67 C68 C71 C72 -1.7(4) . . . . ?
C21 C22 C71 C68 -12.8(4) . . . . ?
C23 C22 C71 C68 161.7(3) . . . . ?
C21 C22 C71 C72 165.8(3) . . . . ?
C23 C22 C71 C72 -19.7(4) . . . . ?
C68 C71 C72 C81 6.4(4) . . . . ?
C22 C71 C72 C81 -172.2(3) . . . . ?
C68 C71 C72 C73 -176.1(3) . . . . ?
C22 C71 C72 C73 5.3(4) . . . . ?
C81 C72 C73 C75 0.3(4) . . . . ?
C71 C72 C73 C75 -177.1(3) . . . . ?
C81 C72 C73 C74 -175.4(3) . . . . ?
C71 C72 C73 C74 7.1(4) . . . . ?
C24 C23 C74 C31 -9.7(4) . . . . ?
C22 C23 C74 C31 172.9(3) . . . . ?
C24 C23 C74 C73 166.9(3) . . . . ?
C22 C23 C74 C73 -10.6(4) . . . . ?
C30 C31 C74 C23 4.9(4) . . . . ?
C32 C31 C74 C23 -175.7(3) . . . . ?
C30 C31 C74 C73 -171.7(3) . . . . ?
C32 C31 C74 C73 7.7(4) . . . . ?
C75 C73 C74 C23 180.0(3) . . . . ?
C72 C73 C74 C23 -4.3(4) . . . . ?
C75 C73 C74 C31 -3.5(4) . . . . ?
C72 C73 C74 C31 172.2(3) . . . . ?
C72 C73 C75 C77 2.3(4) . . . . ?
C74 C73 C75 C77 178.0(3) . . . . ?
C72 C73 C75 C76 -178.1(3) . . . . ?
C74 C73 C75 C76 -2.5(4) . . . . ?
C33 C32 C76 C40 0.9(5) . . . . ?
C31 C32 C76 C40 -178.9(3) . . . . ?
C33 C32 C76 C75 -179.9(3) . . . . ?
C31 C32 C76 C75 0.3(4) . . . . ?
C39 C40 C76 C32 -3.0(4) . . . . ?
C41 C40 C76 C32 177.0(3) . . . . ?
C39 C40 C76 C75 177.8(3) . . . . ?
C41 C40 C76 C75 -2.2(4) . . . . ?
C73 C75 C76 C32 4.0(4) . . . . ?
C77 C75 C76 C32 -176.4(3) . . . . ?
C73 C75 C76 C40 -176.8(3) . . . . ?
C77 C75 C76 C40 2.8(4) . . . . ?
C73 C75 C77 C79 -2.5(4) . . . . ?
C76 C75 C77 C79 177.9(3) . . . . ?
C73 C75 C77 C78 177.8(3) . . . . ?
C76 C75 C77 C78 -1.8(4) . . . . ?
C48 C49 C78 C41 1.9(5) . . . . ?
C50 C49 C78 C41 -178.0(3) . . . . ?
C48 C49 C78 C77 -178.7(3) . . . . ?
C50 C49 C78 C77 1.4(5) . . . . ?
C42 C41 C78 C49 -1.5(5) . . . . ?
C40 C41 C78 C49 179.9(3) . . . . ?
C42 C41 C78 C77 179.1(3) . . . . ?
C40 C41 C78 C77 0.4(5) . . . . ?
C75 C77 C78 C49 -179.3(3) . . . . ?
C79 C77 C78 C49 1.1(5) . . . . ?
C75 C77 C78 C41 0.2(4) . . . . ?
C79 C77 C78 C41 -179.5(3) . . . . ?
C75 C77 C79 C81 0.1(4) . . . . ?
C78 C77 C79 C81 179.8(3) . . . . ?
C75 C77 C79 C80 178.5(3) . . . . ?
C78 C77 C79 C80 -1.8(4) . . . . ?
C51 C50 C80 C58 1.2(4) . . . . ?
C49 C50 C80 C58 -179.4(3) . . . . ?
C51 C50 C80 C79 -177.0(3) . . . . ?
C49 C50 C80 C79 2.4(4) . . . . ?
C57 C58 C80 C50 -2.2(4) . . . . ?
C59 C58 C80 C50 178.0(3) . . . . ?
C57 C58 C80 C79 176.0(3) . . . . ?
C59 C58 C80 C79 -3.8(4) . . . . ?
C77 C79 C80 C50 0.1(4) . . . . ?
C81 C79 C80 C50 178.5(3) . . . . ?
C77 C79 C80 C58 -178.1(3) . . . . ?
C81 C79 C80 C58 0.3(4) . . . . ?
C73 C72 C81 C79 -2.7(4) . . . . ?
C71 C72 C81 C79 174.7(3) . . . . ?
C73 C72 C81 C82 177.7(3) . . . . ?
C71 C72 C81 C82 -4.9(4) . . . . ?
C77 C79 C81 C72 2.5(4) . . . . ?
C80 C79 C81 C72 -175.9(3) . . . . ?
C77 C79 C81 C82 -177.9(3) . . . . ?
C80 C79 C81 C82 3.7(4) . . . . ?
C60 C59 C82 C67 -1.8(4) . . . . ?
C58 C59 C82 C67 177.5(3) . . . . ?
C60 C59 C82 C81 -178.8(3) . . . . ?
C58 C59 C82 C81 0.6(4) . . . . ?
C66 C67 C82 C59 3.6(4) . . . . ?
C68 C67 C82 C59 -170.8(3) . . . . ?
C66 C67 C82 C81 -179.5(3) . . . . ?
C68 C67 C82 C81 6.2(4) . . . . ?
C72 C81 C82 C59 175.4(3) . . . . ?
C79 C81 C82 C59 -4.2(4) . . . . ?
C72 C81 C82 C67 -1.5(4) . . . . ?
C79 C81 C82 C67 178.9(3) . . . . ?
