#------------------------------------------------------------------------------
#$Date: 2022-05-05 23:22:58 +0300 (Thu, 05 May 2022) $
#$Revision: 274957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/98/7129844.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_7129844
loop_
_publ_author_name
'López-López, Juan-Carlos'
'Bautista, Delia'
'González-Herrero, Pablo'
_publ_section_title
;
 Phosphorescent biaryl platinum(IV) complexes obtained through double
 metalation of dibenzoiodolium ions.
;
_journal_issue                   28
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4532
_journal_page_last               4535
_journal_paper_doi               10.1039/d2cc01018f
_journal_volume                  58
_journal_year                    2022
_chemical_formula_sum            'C44.5 H45 Cl N2 Pt'
_chemical_formula_weight         838.36
_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
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-09-01 deposited with the CCDC.	2022-03-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.371(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.9752(8)
_cell_length_b                   29.683(2)
_cell_length_c                   23.6145(16)
_cell_measurement_reflns_used    9091
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.51
_cell_measurement_theta_min      2.17
_cell_volume                     7690.9(9)
_computing_cell_refinement       'SAINT V8.40A (Bruker AXS Inc.)'
_computing_data_collection       'APEX3 2019.1_0 (Bruker AXS Inc.)'
_computing_data_reduction        'SAINT V8.40A (Bruker AXS Inc.)'
_computing_molecular_graphics    'Olex2-version 1.2.10'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.40
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON II CMOS'
_diffrn_measurement_method       'ω-scans and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            155902
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         1.857
_diffrn_source                   'high brilliance microfocus sealed tube '
_exptl_absorpt_coefficient_mu    3.751
_exptl_absorpt_correction_T_max  0.6475
_exptl_absorpt_correction_T_min  0.5617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_description       prism
_exptl_crystal_F_000             3368
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.087
_refine_diff_density_max         2.745
_refine_diff_density_min         -1.609
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     890
_refine_ls_number_reflns         15731
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0175P)²+17.5370P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0568
_refine_ls_wR_factor_ref         0.0593
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13890
_reflns_number_total             15731
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc01018f2.cif
_cod_data_source_block           JCB_54g_0msp_a_sq
_cod_depositor_comments
'Adding full bibliography for 7129844--7129846.cif.'
_cod_original_cell_volume        7690.8(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C44.50 H45 Cl N2 Pt'
_cod_database_code               7129844
_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_min   0.552
_shelx_estimated_absorpt_t_max   0.736
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
Pt01 Pt 0.58566(2) 0.36059(2) 0.32990(2) 0.01462(3) Uani 1 1 d . . . . .
C1 C 0.6782(3) 0.37501(11) 0.40546(13) 0.0169(6) Uani 1 1 d . . . . .
N1 N 0.7495(2) 0.34188(9) 0.29095(11) 0.0179(6) Uani 1 1 d . . . . .
C2 C 0.7121(3) 0.34593(11) 0.44943(13) 0.0201(7) Uani 1 1 d . . . . .
H2 H 0.690561 0.315012 0.446386 0.024 Uiso 1 1 calc R U . . .
N2 N 0.6148(2) 0.43117(9) 0.32035(12) 0.0210(6) Uani 1 1 d . . . . .
C3 C 0.7766(3) 0.36046(13) 0.49782(14) 0.0278(8) Uani 1 1 d . . . . .
C4 C 0.8086(3) 0.40571(14) 0.50187(16) 0.0333(9) Uani 1 1 d . . . . .
H4 H 0.852551 0.416279 0.534392 0.040 Uiso 1 1 calc R U . . .
C5 C 0.7772(3) 0.43527(13) 0.45907(17) 0.0343(9) Uani 1 1 d . . . . .
H5 H 0.800351 0.466027 0.462127 0.041 Uiso 1 1 calc R U . . .
C6 C 0.7114(3) 0.42052(11) 0.41114(14) 0.0215(7) Uani 1 1 d . . . . .
C7 C 0.6748(3) 0.45091(11) 0.36481(15) 0.0236(7) Uani 1 1 d . . . . .
C8 C 0.6980(3) 0.49719(12) 0.36349(18) 0.0329(9) Uani 1 1 d . . . . .
H8 H 0.738362 0.511345 0.394771 0.040 Uiso 1 1 calc R U . . .
C9 C 0.6626(4) 0.52227(13) 0.3170(2) 0.0389(10) Uani 1 1 d . . . . .
H9 H 0.677976 0.553756 0.316037 0.047 Uiso 1 1 calc R U . . .
C10 C 0.6048(4) 0.50134(13) 0.27186(18) 0.0357(10) Uani 1 1 d . . . . .
H10 H 0.581692 0.518006 0.238988 0.043 Uiso 1 1 calc R U . . .
C11 C 0.5809(3) 0.45578(12) 0.27502(16) 0.0277(8) Uani 1 1 d . . . . .
H11 H 0.539342 0.441453 0.244222 0.033 Uiso 1 1 calc R U . . .
C12 C 0.8109(4) 0.32842(16) 0.54453(15) 0.0399(10) Uani 1 1 d . . . . .
H12A H 0.896284 0.333282 0.556059 0.060 Uiso 1 1 calc R U . . .
H12B H 0.800319 0.297390 0.531135 0.060 Uiso 1 1 calc R U . . .
H12C H 0.758644 0.333641 0.576946 0.060 Uiso 1 1 calc R U . . .
C21 C 0.5805(3) 0.29387(10) 0.34313(13) 0.0178(7) Uani 1 1 d . . . . .
C22 C 0.4954(3) 0.26980(11) 0.37352(13) 0.0207(7) Uani 1 1 d . . . . .
H22 H 0.430324 0.285522 0.390514 0.025 Uiso 1 1 calc R U . . .
C23 C 0.5031(3) 0.22296(11) 0.37977(14) 0.0251(8) Uani 1 1 d . . . . .
C24 C 0.6010(4) 0.20071(11) 0.35578(15) 0.0294(8) Uani 1 1 d . . . . .
H24 H 0.607998 0.168982 0.359986 0.035 Uiso 1 1 calc R U . . .
C25 C 0.6875(3) 0.22361(12) 0.32623(15) 0.0273(8) Uani 1 1 d . . . . .
H25 H 0.753208 0.207675 0.310099 0.033 Uiso 1 1 calc R U . . .
C26 C 0.6792(3) 0.27036(11) 0.31978(13) 0.0196(7) Uani 1 1 d . . . . .
C27 C 0.7711(3) 0.29680(11) 0.29105(13) 0.0202(7) Uani 1 1 d . . . . .
C28 C 0.8748(3) 0.27997(12) 0.26504(14) 0.0248(7) Uani 1 1 d . . . . .
H28 H 0.890640 0.248502 0.265146 0.030 Uiso 1 1 calc R U . . .
C29 C 0.9540(3) 0.30904(13) 0.23931(15) 0.0296(8) Uani 1 1 d . . . . .
H29 H 1.025514 0.297822 0.222305 0.036 Uiso 1 1 calc R U . . .
C30 C 0.9288(3) 0.35471(13) 0.23837(14) 0.0260(8) Uani 1 1 d . . . . .
H30 H 0.981185 0.375157 0.219803 0.031 Uiso 1 1 calc R U . . .
C31 C 0.8262(3) 0.36994(12) 0.26496(14) 0.0222(7) Uani 1 1 d . . . . .
H31 H 0.809142 0.401324 0.264890 0.027 Uiso 1 1 calc R U . . .
C32 C 0.4088(4) 0.19722(12) 0.41118(16) 0.0321(9) Uani 1 1 d . . . . .
H32A H 0.448872 0.178567 0.440376 0.048 Uiso 1 1 calc R U . . .
H32B H 0.362920 0.177875 0.384675 0.048 Uiso 1 1 calc R U . . .
H32C H 0.352995 0.218371 0.429066 0.048 Uiso 1 1 calc R U . . .
C41 C 0.4859(3) 0.35572(10) 0.25438(13) 0.0186(6) Uani 1 1 d . . . . .
C42 C 0.5282(3) 0.34804(11) 0.19992(14) 0.0224(7) Uani 1 1 d . . . . .
H42 H 0.610579 0.338982 0.195820 0.027 Uiso 1 1 calc R U . . .
C43 C 0.4545(3) 0.35311(12) 0.15100(14) 0.0250(7) Uani 1 1 d . . . . .
C44 C 0.3339(3) 0.36535(13) 0.15809(15) 0.0291(8) Uani 1 1 d . . . . .
H44 H 0.282156 0.369286 0.125660 0.035 Uiso 1 1 calc R U . . .
C45 C 0.2872(3) 0.37198(12) 0.21168(15) 0.0275(8) Uani 1 1 d . . . . .
H45 H 0.203664 0.379598 0.215420 0.033 Uiso 1 1 calc R U . . .
C46 C 0.3617(3) 0.36756(11) 0.25988(14) 0.0203(7) Uani 1 1 d . . . . .
C47 C 0.3239(3) 0.37519(10) 0.31861(13) 0.0177(6) Uani 1 1 d . . . . .
C48 C 0.2045(3) 0.38307(11) 0.33473(14) 0.0214(7) Uani 1 1 d . . . . .
H48 H 0.141025 0.384090 0.306709 0.026 Uiso 1 1 calc R U . . .
C49 C 0.1773(3) 0.38942(11) 0.39104(14) 0.0213(7) Uani 1 1 d . . . . .
H49 H 0.095325 0.394850 0.401094 0.026 Uiso 1 1 calc R U . . .
C50 C 0.2682(3) 0.38800(10) 0.43340(14) 0.0200(7) Uani 1 1 d . . . . .
C51 C 0.3883(3) 0.37961(10) 0.41693(14) 0.0185(7) Uani 1 1 d . . . . .
H51 H 0.451303 0.378222 0.445170 0.022 Uiso 1 1 calc R U . . .
C52 C 0.4178(3) 0.37324(10) 0.36018(13) 0.0166(6) Uani 1 1 d . . . . .
C53 C 0.5091(4) 0.34588(13) 0.09244(15) 0.0305(8) Uani 1 1 d . . . . .
C54 C 0.6236(4) 0.37518(15) 0.08699(17) 0.0420(10) Uani 1 1 d . . . . .
H54A H 0.657607 0.370947 0.049366 0.063 Uiso 1 1 calc R U . . .
H54B H 0.684254 0.366352 0.116040 0.063 Uiso 1 1 calc R U . . .
H54C H 0.601993 0.406930 0.092098 0.063 Uiso 1 1 calc R U . . .
C55 C 0.4207(4) 0.35834(17) 0.04404(16) 0.0449(11) Uani 1 1 d . . . . .
H55A H 0.461399 0.354884 0.007809 0.067 Uiso 1 1 calc R U . . .
H55B H 0.394481 0.389678 0.048455 0.067 Uiso 1 1 calc R U . . .
H55C H 0.349490 0.338454 0.044807 0.067 Uiso 1 1 calc R U . . .
C56 C 0.5448(4) 0.29633(14) 0.08643(16) 0.0377(9) Uani 1 1 d . . . . .
H56A H 0.578865 0.291328 0.048956 0.057 Uiso 1 1 calc R U . . .
H56B H 0.472540 0.277356 0.090712 0.057 Uiso 1 1 calc R U . . .
H56C H 0.605900 0.288546 0.115760 0.057 Uiso 1 1 calc R U . . .
C57 C 0.2336(3) 0.39503(12) 0.49525(14) 0.0236(7) Uani 1 1 d . . . . .
C58 C 0.1624(4) 0.43928(13) 0.49981(17) 0.0349(9) Uani 1 1 d . . . . .
H58A H 0.137830 0.443707 0.539049 0.052 Uiso 1 1 calc R U . . .
H58B H 0.089661 0.437988 0.474952 0.052 Uiso 1 1 calc R U . . .
H58C H 0.214119 0.464427 0.488343 0.052 Uiso 1 1 calc R U . . .
C59 C 0.1521(4) 0.35564(13) 0.51359(16) 0.0329(9) Uani 1 1 d . . . . .
H59A H 0.128129 0.360161 0.552893 0.049 Uiso 1 1 calc R U . . .
H59B H 0.197302 0.327302 0.510607 0.049 Uiso 1 1 calc R U . . .
H59C H 0.079075 0.354407 0.488937 0.049 Uiso 1 1 calc R U . . .
C60 C 0.3452(3) 0.39736(13) 0.53536(15) 0.0308(8) Uani 1 1 d . . . . .
H60A H 0.318651 0.402635 0.574124 0.046 Uiso 1 1 calc R U . . .
H60B H 0.398320 0.422071 0.523769 0.046 Uiso 1 1 calc R U . . .
H60C H 0.390058 0.368852 0.533825 0.046 Uiso 1 1 calc R U . . .
Pt02 Pt 0.39684(2) 0.63362(2) 0.23387(2) 0.01794(4) Uani 1 1 d . . . . .
N1A N 0.2364(2) 0.66803(9) 0.25798(12) 0.0217(6) Uani 1 1 d . . . . .
C1A C 0.3029(3) 0.58919(11) 0.18022(14) 0.0218(7) Uani 1 1 d . . . . .
N2A N 0.3709(2) 0.57793(9) 0.28964(12) 0.0210(6) Uani 1 1 d . . . . .
C2A C 0.2677(3) 0.59484(12) 0.12382(15) 0.0252(7) Uani 1 1 d . . . . .
H2A H 0.284947 0.622614 0.105721 0.030 Uiso 1 1 calc R U . . .
C3A C 0.2077(3) 0.56111(13) 0.09276(15) 0.0300(8) Uani 1 1 d . . . . .
C4A C 0.1842(4) 0.52028(14) 0.11904(17) 0.0394(10) Uani 1 1 d . . . . .
H4A H 0.143532 0.497025 0.098399 0.047 Uiso 1 1 calc R U . . .
C5A C 0.2191(4) 0.51315(13) 0.17461(17) 0.0357(9) Uani 1 1 d . . . . .
H5A H 0.203469 0.484904 0.191905 0.043 Uiso 1 1 calc R U . . .
C6A C 0.2776(3) 0.54720(11) 0.20583(15) 0.0255(7) Uani 1 1 d . . . . .
C7A C 0.3151(3) 0.54123(12) 0.26536(15) 0.0248(7) Uani 1 1 d . . . . .
C8A C 0.2978(3) 0.50250(12) 0.29788(16) 0.0285(8) Uani 1 1 d . . . . .
H8A H 0.262377 0.476493 0.280771 0.034 Uiso 1 1 calc R U . . .
C9A C 0.3314(3) 0.50162(13) 0.35432(17) 0.0323(9) Uani 1 1 d . . . . .
H9A H 0.318555 0.475346 0.376375 0.039 Uiso 1 1 calc R U . . .
C10A C 0.3838(3) 0.53934(13) 0.37841(17) 0.0310(8) Uani 1 1 d . . . . .
H10A H 0.406501 0.539792 0.417481 0.037 Uiso 1 1 calc R U . . .
C11A C 0.4028(3) 0.57672(12) 0.34447(15) 0.0249(7) Uani 1 1 d . . . . .
H11A H 0.440225 0.602575 0.361007 0.030 Uiso 1 1 calc R U . . .
C12A C 0.1706(4) 0.56906(15) 0.03123(16) 0.0403(10) Uani 1 1 d . . . . .
H12D H 0.107381 0.547344 0.019802 0.060 Uiso 1 1 calc R U . . .
H12E H 0.241670 0.565233 0.007369 0.060 Uiso 1 1 calc R U . . .
H12F H 0.138713 0.599732 0.026808 0.060 Uiso 1 1 calc R U . . .
C21A C 0.4054(3) 0.68710(11) 0.18225(14) 0.0221(7) Uani 1 1 d . . . . .
C22A C 0.4879(3) 0.69487(11) 0.13997(14) 0.0244(7) Uani 1 1 d . . . . .
H22A H 0.545536 0.672168 0.131318 0.029 Uiso 1 1 calc R U . . .
C23A C 0.4885(3) 0.73553(12) 0.10950(15) 0.0273(8) Uani 1 1 d . . . . .
C24A C 0.4040(4) 0.76870(12) 0.12292(16) 0.0306(9) Uani 1 1 d . . . . .
H24A H 0.404752 0.796697 0.103436 0.037 Uiso 1 1 calc R U . . .
C25A C 0.3198(3) 0.76141(12) 0.16388(16) 0.0297(8) Uani 1 1 d . . . . .
H25A H 0.261815 0.784159 0.171903 0.036 Uiso 1 1 calc R U . . .
C26A C 0.3183(3) 0.72093(11) 0.19394(15) 0.0232(7) Uani 1 1 d . . . . .
C27A C 0.2272(3) 0.71002(11) 0.23541(14) 0.0239(7) Uani 1 1 d . . . . .
C28A C 0.1335(3) 0.73873(13) 0.25266(15) 0.0311(9) Uani 1 1 d . . . . .
H28A H 0.127685 0.768521 0.238137 0.037 Uiso 1 1 calc R U . . .
C29A C 0.0504(4) 0.72340(14) 0.29077(16) 0.0339(9) Uani 1 1 d . . . . .
H29A H -0.014219 0.742460 0.302014 0.041 Uiso 1 1 calc R U . . .
C30A C 0.0603(3) 0.68031(14) 0.31285(16) 0.0324(9) Uani 1 1 d . . . . .
H30A H 0.003090 0.669378 0.339094 0.039 Uiso 1 1 calc R U . . .
C31A C 0.1557(3) 0.65367(13) 0.29564(15) 0.0260(8) Uani 1 1 d . . . . .
H31A H 0.164436 0.624232 0.311002 0.031 Uiso 1 1 calc R U . . .
C32A C 0.5807(4) 0.74415(14) 0.06486(16) 0.0373(9) Uani 1 1 d . . . . .
H32D H 0.538792 0.753107 0.029530 0.056 Uiso 1 1 calc R U . . .
H32E H 0.627816 0.716639 0.058457 0.056 Uiso 1 1 calc R U . . .
H32F H 0.635819 0.768329 0.077452 0.056 Uiso 1 1 calc R U . . .
C41A C 0.5045(3) 0.67007(10) 0.29115(14) 0.0194(7) Uani 1 1 d . . . . .
C42A C 0.4665(3) 0.70129(11) 0.33115(13) 0.0209(7) Uani 1 1 d . . . . .
H42A H 0.382210 0.708362 0.332706 0.025 Uiso 1 1 calc R U . . .
C43A C 0.5476(3) 0.72259(11) 0.36906(14) 0.0223(7) Uani 1 1 d . . . . .
C44A C 0.6702(3) 0.71105(12) 0.36609(15) 0.0291(8) Uani 1 1 d . . . . .
H44A H 0.727267 0.724586 0.391730 0.035 Uiso 1 1 calc R U . . .
C45A C 0.7110(3) 0.68028(12) 0.32663(15) 0.0266(8) Uani 1 1 d . . . . .
H45A H 0.795269 0.673153 0.325395 0.032 Uiso 1 1 calc R U . . .
C46A C 0.6290(3) 0.65978(11) 0.28879(14) 0.0209(7) Uani 1 1 d . . . . .
C47A C 0.6616(3) 0.62783(11) 0.24365(14) 0.0216(7) Uani 1 1 d . . . . .
C48A C 0.7795(3) 0.61506(11) 0.23036(15) 0.0250(7) Uani 1 1 d . . . . .
H48A H 0.846357 0.626043 0.252592 0.030 Uiso 1 1 calc R U . . .
C49A C 0.8008(3) 0.58654(12) 0.18516(16) 0.0281(8) Uani 1 1 d . . . . .
H49A H 0.882073 0.578406 0.176717 0.034 Uiso 1 1 calc R U . . .
C50A C 0.7044(3) 0.56965(11) 0.15192(15) 0.0258(8) Uani 1 1 d . . . . .
C51A C 0.5862(3) 0.58223(11) 0.16548(14) 0.0240(7) Uani 1 1 d . . . . .
H51A H 0.519695 0.571119 0.143095 0.029 Uiso 1 1 calc R U . . .
C52A C 0.5627(3) 0.61080(10) 0.21122(14) 0.0196(7) Uani 1 1 d . . . . .
C53A C 0.5042(3) 0.75532(12) 0.41464(15) 0.0264(8) Uani 1 1 d . . . . .
C54A C 0.3767(4) 0.77422(13) 0.40155(16) 0.0337(9) Uani 1 1 d . . . . .
H54D H 0.355337 0.796122 0.430741 0.051 Uiso 1 1 calc R U . . .
H54E H 0.317253 0.749571 0.401063 0.051 Uiso 1 1 calc R U . . .
H54F H 0.375868 0.789057 0.364465 0.051 Uiso 1 1 calc R U . . .
C55A C 0.5914(4) 0.79563(13) 0.42127(17) 0.0369(9) Uani 1 1 d . . . . .
H55D H 0.558639 0.817015 0.448610 0.055 Uiso 1 1 calc R U . . .
H55E H 0.599838 0.810570 0.384566 0.055 Uiso 1 1 calc R U . . .
H55F H 0.671440 0.784984 0.434875 0.055 Uiso 1 1 calc R U . . .
C56A C 0.5003(4) 0.72948(13) 0.47110(15) 0.0315(8) Uani 1 1 d . . . . .
H56D H 0.464450 0.748713 0.500031 0.047 Uiso 1 1 calc R U . . .
H56E H 0.583256 0.721011 0.483103 0.047 Uiso 1 1 calc R U . . .
H56F H 0.450663 0.702254 0.466093 0.047 Uiso 1 1 calc R U . . .
C57A C 0.7315(4) 0.53795(13) 0.10200(16) 0.0335(9) Uani 1 1 d . . . . .
C58A C 0.6154(4) 0.52288(16) 0.07016(19) 0.0466(11) Uani 1 1 d . . . . .
H58D H 0.637259 0.504161 0.037749 0.070 Uiso 1 1 calc R U . . .
H58E H 0.570270 0.549422 0.056679 0.070 Uiso 1 1 calc R U . . .
H58F H 0.564493 0.505403 0.095653 0.070 Uiso 1 1 calc R U . . .
C59A C 0.7974(5) 0.49556(15) 0.12474(19) 0.0489(12) Uani 1 1 d . . . . .
H59D H 0.811758 0.474764 0.093364 0.073 Uiso 1 1 calc R U . . .
H59E H 0.746754 0.480741 0.152840 0.073 Uiso 1 1 calc R U . . .
H59F H 0.875572 0.504221 0.142473 0.073 Uiso 1 1 calc R U . . .
C60A C 0.8128(5) 0.56210(17) 0.06006(19) 0.0518(12) Uani 1 1 d . . . . .
H60D H 0.827816 0.542256 0.027793 0.078 Uiso 1 1 calc R U . . .
H60E H 0.890602 0.569895 0.078836 0.078 Uiso 1 1 calc R U . . .
H60F H 0.772283 0.589646 0.046632 0.078 Uiso 1 1 calc R U . . .
C91 C 0.9783(4) 0.52875(14) 0.28871(19) 0.0419(10) Uani 1 1 d . . . . .
H91A H 0.898964 0.537175 0.270921 0.050 Uiso 1 1 calc R U . . .
H91B H 1.043394 0.538802 0.263284 0.050 Uiso 1 1 calc R U . . .
Cl92 Cl 0.99526(13) 0.55650(5) 0.35375(5) 0.0642(4) Uani 1 1 d . . . . .
Cl93 Cl 0.98522(11) 0.47031(4) 0.29579(8) 0.0787(5) 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'
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'
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
C21 Pt01 C52 95.65(13) . . ?
C21 Pt01 C41 92.80(12) . . ?
C52 Pt01 C41 81.43(13) . . ?
C21 Pt01 C1 94.86(12) . . ?
C52 Pt01 C1 95.09(12) . . ?
C41 Pt01 C1 171.88(12) . . ?
C21 Pt01 N1 80.55(12) . . ?
C52 Pt01 N1 172.75(11) . . ?
C41 Pt01 N1 92.54(11) . . ?
C1 Pt01 N1 91.40(11) . . ?
C21 Pt01 N2 172.53(12) . . ?
C52 Pt01 N2 89.72(11) . . ?
C41 Pt01 N2 93.14(11) . . ?
C1 Pt01 N2 79.45(12) . . ?
N1 Pt01 N2 94.65(10) . . ?
C2 C1 C6 117.4(3) . . ?
C2 C1 Pt01 129.0(2) . . ?
C6 C1 Pt01 113.6(2) . . ?
C31 N1 C27 120.0(3) . . ?
C31 N1 Pt01 125.8(2) . . ?
C27 N1 Pt01 114.1(2) . . ?
C1 C2 C3 122.6(3) . . ?
C1 C2 H2 118.7 . . ?
C3 C2 H2 118.7 . . ?
C11 N2 C7 120.1(3) . . ?
C11 N2 Pt01 125.5(2) . . ?
C7 N2 Pt01 114.4(2) . . ?
C4 C3 C2 118.4(3) . . ?
C4 C3 C12 120.2(3) . . ?
C2 C3 C12 121.3(3) . . ?
C5 C4 C3 120.4(3) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 120.7(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 120.4(3) . . ?
C5 C6 C7 122.6(3) . . ?
C1 C6 C7 117.0(3) . . ?
N2 C7 C8 119.5(3) . . ?
N2 C7 C6 115.5(3) . . ?
C8 C7 C6 125.0(3) . . ?
C9 C8 C7 120.1(4) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C8 C9 C10 119.4(4) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C9 C10 C11 119.0(4) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 H10 120.5 . . ?
N2 C11 C10 121.9(4) . . ?
N2 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
C3 C12 H12A 109.5 . . ?
C3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C22 C21 C26 118.6(3) . . ?
C22 C21 Pt01 127.6(2) . . ?
C26 C21 Pt01 113.7(2) . . ?
C21 C22 C23 121.7(3) . . ?
C21 C22 H22 119.2 . . ?
C23 C22 H22 119.2 . . ?
C24 C23 C22 118.2(3) . . ?
C24 C23 C32 120.6(3) . . ?
C22 C23 C32 121.2(3) . . ?
C25 C24 C23 121.5(3) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C24 C25 C26 120.2(3) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C21 119.8(3) . . ?
C25 C26 C27 122.7(3) . . ?
C21 C26 C27 117.5(3) . . ?
N1 C27 C28 119.7(3) . . ?
N1 C27 C26 114.1(3) . . ?
C28 C27 C26 126.3(3) . . ?
C29 C28 C27 119.9(3) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 119.6(3) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 H29 120.2 . . ?
C31 C30 C29 118.6(3) . . ?
C31 C30 H30 120.7 . . ?
C29 C30 H30 120.7 . . ?
N1 C31 C30 122.2(3) . . ?
N1 C31 H31 118.9 . . ?
C30 C31 H31 118.9 . . ?
C23 C32 H32A 109.5 . . ?
C23 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C23 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C42 C41 C46 117.8(3) . . ?
C42 C41 Pt01 128.5(2) . . ?
C46 C41 Pt01 113.1(2) . . ?
C41 C42 C43 122.9(3) . . ?
C41 C42 H42 118.6 . . ?
C43 C42 H42 118.6 . . ?
C44 C43 C42 117.5(3) . . ?
C44 C43 C53 122.7(3) . . ?
C42 C43 C53 119.8(3) . . ?
C43 C44 C45 121.4(3) . . ?
C43 C44 H44 119.3 . . ?
C45 C44 H44 119.3 . . ?
C44 C45 C46 120.5(3) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 H45 119.7 . . ?
C45 C46 C41 119.8(3) . . ?
C45 C46 C47 125.5(3) . . ?
C41 C46 C47 114.7(3) . . ?
C48 C47 C52 119.6(3) . . ?
C48 C47 C46 124.8(3) . . ?
C52 C47 C46 115.5(3) . . ?
C49 C48 C47 120.8(3) . . ?
C49 C48 H48 119.6 . . ?
C47 C48 H48 119.6 . . ?
C48 C49 C50 121.2(3) . . ?
C48 C49 H49 119.4 . . ?
C50 C49 H49 119.4 . . ?
C49 C50 C51 117.8(3) . . ?
C49 C50 C57 119.3(3) . . ?
C51 C50 C57 122.9(3) . . ?
C52 C51 C50 121.9(3) . . ?
C52 C51 H51 119.0 . . ?
C50 C51 H51 119.0 . . ?
C51 C52 C47 118.7(3) . . ?
C51 C52 Pt01 126.6(2) . . ?
C47 C52 Pt01 114.7(2) . . ?
C55 C53 C56 108.8(3) . . ?
C55 C53 C43 112.7(3) . . ?
C56 C53 C43 108.9(3) . . ?
C55 C53 C54 107.9(3) . . ?
C56 C53 C54 109.0(3) . . ?
C43 C53 C54 109.5(3) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C50 C57 C60 112.5(3) . . ?
C50 C57 C58 108.8(3) . . ?
C60 C57 C58 108.6(3) . . ?
C50 C57 C59 108.9(3) . . ?
C60 C57 C59 108.7(3) . . ?
C58 C57 C59 109.3(3) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C21A Pt02 C52A 92.80(13) . . ?
C21A Pt02 C41A 87.11(12) . . ?
C52A Pt02 C41A 81.12(13) . . ?
C21A Pt02 C1A 99.26(13) . . ?
C52A Pt02 C1A 93.58(13) . . ?
C41A Pt02 C1A 171.95(13) . . ?
C21A Pt02 N1A 80.42(13) . . ?
C52A Pt02 N1A 170.70(12) . . ?
C41A Pt02 N1A 92.13(12) . . ?
C1A Pt02 N1A 93.78(11) . . ?
C21A Pt02 N2A 174.90(12) . . ?
C52A Pt02 N2A 92.17(11) . . ?
C41A Pt02 N2A 94.79(11) . . ?
C1A Pt02 N2A 79.28(12) . . ?
N1A Pt02 N2A 94.77(11) . . ?
C31A N1A C27A 120.5(3) . . ?
C31A N1A Pt02 126.2(2) . . ?
C27A N1A Pt02 113.0(2) . . ?
C2A C1A C6A 117.6(3) . . ?
C2A C1A Pt02 129.0(3) . . ?
C6A C1A Pt02 113.4(2) . . ?
C11A N2A C7A 119.3(3) . . ?
C11A N2A Pt02 125.7(2) . . ?
C7A N2A Pt02 115.0(2) . . ?
C1A C2A C3A 122.3(3) . . ?
C1A C2A H2A 118.8 . . ?
C3A C2A H2A 118.8 . . ?
C4A C3A C2A 118.8(3) . . ?
C4A C3A C12A 121.0(3) . . ?
C2A C3A C12A 120.2(4) . . ?
C5A C4A C3A 120.7(4) . . ?
C5A C4A H4A 119.7 . . ?
C3A C4A H4A 119.7 . . ?
C4A C5A C6A 120.4(4) . . ?
C4A C5A H5A 119.8 . . ?
C6A C5A H5A 119.8 . . ?
C5A C6A C1A 120.2(3) . . ?
C5A C6A C7A 122.2(3) . . ?
C1A C6A C7A 117.6(3) . . ?
N2A C7A C8A 119.3(3) . . ?
N2A C7A C6A 114.7(3) . . ?
C8A C7A C6A 126.0(3) . . ?
C9A C8A C7A 120.8(3) . . ?
C9A C8A H8A 119.6 . . ?
C7A C8A H8A 119.6 . . ?
C8A C9A C10A 119.0(3) . . ?
C8A C9A H9A 120.5 . . ?
C10A C9A H9A 120.5 . . ?
C9A C10A C11A 118.6(4) . . ?
C9A C10A H10A 120.7 . . ?
C11A C10A H10A 120.7 . . ?
N2A C11A C10A 122.9(3) . . ?
N2A C11A H11A 118.6 . . ?
C10A C11A H11A 118.6 . . ?
C3A C12A H12D 109.5 . . ?
C3A C12A H12E 109.5 . . ?
H12D C12A H12E 109.5 . . ?
C3A C12A H12F 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
C22A C21A C26A 118.6(3) . . ?
C22A C21A Pt02 127.7(3) . . ?
C26A C21A Pt02 113.6(2) . . ?
C21A C22A C23A 121.6(3) . . ?
C21A C22A H22A 119.2 . . ?
C23A C22A H22A 119.2 . . ?
C24A C23A C22A 118.6(3) . . ?
C24A C23A C32A 120.2(3) . . ?
C22A C23A C32A 121.2(3) . . ?
C25A C24A C23A 120.8(3) . . ?
C25A C24A H24A 119.6 . . ?
C23A C24A H24A 119.6 . . ?
C24A C25A C26A 120.7(3) . . ?
C24A C25A H25A 119.6 . . ?
C26A C25A H25A 119.6 . . ?
C25A C26A C21A 119.6(3) . . ?
C25A C26A C27A 123.5(3) . . ?
C21A C26A C27A 116.8(3) . . ?
N1A C27A C28A 119.5(3) . . ?
N1A C27A C26A 115.0(3) . . ?
C28A C27A C26A 125.5(3) . . ?
C29A C28A C27A 119.4(4) . . ?
C29A C28A H28A 120.3 . . ?
C27A C28A H28A 120.3 . . ?
C28A C29A C30A 120.3(4) . . ?
C28A C29A H29A 119.8 . . ?
C30A C29A H29A 119.8 . . ?
C31A C30A C29A 118.1(4) . . ?
C31A C30A H30A 120.9 . . ?
C29A C30A H30A 120.9 . . ?
N1A C31A C30A 122.1(3) . . ?
N1A C31A H31A 119.0 . . ?
C30A C31A H31A 119.0 . . ?
C23A C32A H32D 109.5 . . ?
C23A C32A H32E 109.5 . . ?
H32D C32A H32E 109.5 . . ?
C23A C32A H32F 109.5 . . ?
H32D C32A H32F 109.5 . . ?
H32E C32A H32F 109.5 . . ?
C42A C41A C46A 118.6(3) . . ?
C42A C41A Pt02 127.8(2) . . ?
C46A C41A Pt02 113.6(2) . . ?
C41A C42A C43A 122.6(3) . . ?
C41A C42A H42A 118.7 . . ?
C43A C42A H42A 118.7 . . ?
C44A C43A C42A 117.2(3) . . ?
C44A C43A C53A 120.5(3) . . ?
C42A C43A C53A 122.2(3) . . ?
C45A C44A C43A 121.6(3) . . ?
C45A C44A H44A 119.2 . . ?
C43A C44A H44A 119.2 . . ?
C44A C45A C46A 120.3(3) . . ?
C44A C45A H45A 119.8 . . ?
C46A C45A H45A 119.8 . . ?
C45A C46A C41A 119.6(3) . . ?
C45A C46A C47A 125.4(3) . . ?
C41A C46A C47A 114.9(3) . . ?
C48A C47A C52A 119.2(3) . . ?
C48A C47A C46A 125.5(3) . . ?
C52A C47A C46A 115.3(3) . . ?
C49A C48A C47A 121.0(3) . . ?
C49A C48A H48A 119.5 . . ?
C47A C48A H48A 119.5 . . ?
C48A C49A C50A 120.9(3) . . ?
C48A C49A H49A 119.6 . . ?
C50A C49A H49A 119.6 . . ?
C51A C50A C49A 118.1(3) . . ?
C51A C50A C57A 122.4(3) . . ?
C49A C50A C57A 119.5(3) . . ?
C50A C51A C52A 121.9(3) . . ?
C50A C51A H51A 119.1 . . ?
C52A C51A H51A 119.1 . . ?
C51A C52A C47A 118.9(3) . . ?
C51A C52A Pt02 126.0(3) . . ?
C47A C52A Pt02 115.0(2) . . ?
C54A C53A C43A 112.8(3) . . ?
C54A C53A C55A 107.4(3) . . ?
C43A C53A C55A 111.2(3) . . ?
C54A C53A C56A 108.2(3) . . ?
C43A C53A C56A 107.9(3) . . ?
C55A C53A C56A 109.2(3) . . ?
C53A C54A H54D 109.5 . . ?
C53A C54A H54E 109.5 . . ?
H54D C54A H54E 109.5 . . ?
C53A C54A H54F 109.5 . . ?
H54D C54A H54F 109.5 . . ?
H54E C54A H54F 109.5 . . ?
C53A C55A H55D 109.5 . . ?
C53A C55A H55E 109.5 . . ?
H55D C55A H55E 109.5 . . ?
C53A C55A H55F 109.5 . . ?
H55D C55A H55F 109.5 . . ?
H55E C55A H55F 109.5 . . ?
C53A C56A H56D 109.5 . . ?
C53A C56A H56E 109.5 . . ?
H56D C56A H56E 109.5 . . ?
C53A C56A H56F 109.5 . . ?
H56D C56A H56F 109.5 . . ?
H56E C56A H56F 109.5 . . ?
C60A C57A C58A 108.1(4) . . ?
C60A C57A C59A 109.4(4) . . ?
C58A C57A C59A 108.1(4) . . ?
C60A C57A C50A 109.6(3) . . ?
C58A C57A C50A 112.4(3) . . ?
C59A C57A C50A 109.2(3) . . ?
C57A C58A H58D 109.5 . . ?
C57A C58A H58E 109.5 . . ?
H58D C58A H58E 109.5 . . ?
C57A C58A H58F 109.5 . . ?
H58D C58A H58F 109.5 . . ?
H58E C58A H58F 109.5 . . ?
C57A C59A H59D 109.5 . . ?
C57A C59A H59E 109.5 . . ?
H59D C59A H59E 109.5 . . ?
C57A C59A H59F 109.5 . . ?
H59D C59A H59F 109.5 . . ?
H59E C59A H59F 109.5 . . ?
C57A C60A H60D 109.5 . . ?
C57A C60A H60E 109.5 . . ?
H60D C60A H60E 109.5 . . ?
C57A C60A H60F 109.5 . . ?
H60D C60A H60F 109.5 . . ?
H60E C60A H60F 109.5 . . ?
Cl93 C91 Cl92 112.4(2) . . ?
Cl93 C91 H91A 109.1 . . ?
Cl92 C91 H91A 109.1 . . ?
Cl93 C91 H91B 109.1 . . ?
Cl92 C91 H91B 109.1 . . ?
H91A C91 H91B 107.9 . . ?
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
Pt01 C21 2.006(3) . ?
Pt01 C52 2.027(3) . ?
Pt01 C41 2.075(3) . ?
Pt01 C1 2.077(3) . ?
Pt01 N1 2.113(3) . ?
Pt01 N2 2.132(3) . ?
C1 C2 1.394(5) . ?
C1 C6 1.405(4) . ?
N1 C31 1.343(4) . ?
N1 C27 1.359(4) . ?
C2 C3 1.398(5) . ?
C2 H2 0.9500 . ?
N2 C11 1.341(4) . ?
N2 C7 1.359(4) . ?
C3 C4 1.391(5) . ?
C3 C12 1.498(5) . ?
C4 C5 1.376(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.398(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.467(5) . ?
C7 C8 1.398(5) . ?
C8 C9 1.375(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.375(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.380(5) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C21 C22 1.389(5) . ?
C21 C26 1.412(4) . ?
C22 C23 1.401(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.393(5) . ?
C23 C32 1.497(5) . ?
C24 C25 1.372(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.399(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.458(5) . ?
C27 C28 1.399(5) . ?
C28 C29 1.376(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.384(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.379(5) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C41 C42 1.397(5) . ?
C41 C46 1.417(5) . ?
C42 C43 1.402(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.386(5) . ?
C43 C53 1.536(5) . ?
C44 C45 1.391(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.392(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.475(5) . ?
C47 C48 1.392(5) . ?
C47 C52 1.408(4) . ?
C48 C49 1.383(5) . ?
C48 H48 0.9500 . ?
C49 C50 1.396(5) . ?
C49 H49 0.9500 . ?
C50 C51 1.405(5) . ?
C50 C57 1.532(4) . ?
C51 C52 1.399(4) . ?
C51 H51 0.9500 . ?
C53 C55 1.527(5) . ?
C53 C56 1.530(6) . ?
C53 C54 1.536(5) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C60 1.532(5) . ?
C57 C58 1.533(5) . ?
C57 C59 1.540(5) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
Pt02 C21A 2.005(3) . ?
Pt02 C52A 2.026(3) . ?
Pt02 C41A 2.078(3) . ?
Pt02 C1A 2.084(3) . ?
Pt02 N1A 2.125(3) . ?
Pt02 N2A 2.137(3) . ?
N1A C31A 1.339(4) . ?
N1A C27A 1.358(4) . ?
C1A C2A 1.388(5) . ?
C1A C6A 1.416(5) . ?
N2A C11A 1.334(4) . ?
N2A C7A 1.369(4) . ?
C2A C3A 1.397(5) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.389(5) . ?
C3A C12A 1.518(5) . ?
C4A C5A 1.375(6) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.398(5) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.466(5) . ?
C7A C8A 1.398(5) . ?
C8A C9A 1.375(5) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.376(5) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.387(5) . ?
C10A H10A 0.9500 . ?
C11A H11A 0.9500 . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C21A C22A 1.383(5) . ?
C21A C26A 1.418(5) . ?
C22A C23A 1.405(5) . ?
C22A H22A 0.9500 . ?
C23A C24A 1.395(5) . ?
C23A C32A 1.501(5) . ?
C24A C25A 1.371(5) . ?
C24A H24A 0.9500 . ?
C25A C26A 1.396(5) . ?
C25A H25A 0.9500 . ?
C26A C27A 1.453(5) . ?
C27A C28A 1.403(5) . ?
C28A C29A 1.374(6) . ?
C28A H28A 0.9500 . ?
C29A C30A 1.384(6) . ?
C29A H29A 0.9500 . ?
C30A C31A 1.381(5) . ?
C30A H30A 0.9500 . ?
C31A H31A 0.9500 . ?
C32A H32D 0.9800 . ?
C32A H32E 0.9800 . ?
C32A H32F 0.9800 . ?
C41A C42A 1.394(5) . ?
C41A C46A 1.403(5) . ?
C42A C43A 1.398(5) . ?
C42A H42A 0.9500 . ?
C43A C44A 1.392(5) . ?
C43A C53A 1.534(5) . ?
C44A C45A 1.387(5) . ?
C44A H44A 0.9500 . ?
C45A C46A 1.393(5) . ?
C45A H45A 0.9500 . ?
C46A C47A 1.477(5) . ?
C47A C48A 1.391(5) . ?
C47A C52A 1.407(5) . ?
C48A C49A 1.387(5) . ?
C48A H48A 0.9500 . ?
C49A C50A 1.395(5) . ?
C49A H49A 0.9500 . ?
C50A C51A 1.395(5) . ?
C50A C57A 1.543(5) . ?
C51A C52A 1.402(5) . ?
C51A H51A 0.9500 . ?
C53A C54A 1.532(5) . ?
C53A C55A 1.538(5) . ?
C53A C56A 1.540(5) . ?
C54A H54D 0.9800 . ?
C54A H54E 0.9800 . ?
C54A H54F 0.9800 . ?
C55A H55D 0.9800 . ?
C55A H55E 0.9800 . ?
C55A H55F 0.9800 . ?
C56A H56D 0.9800 . ?
C56A H56E 0.9800 . ?
C56A H56F 0.9800 . ?
C57A C60A 1.528(6) . ?
C57A C58A 1.530(6) . ?
C57A C59A 1.541(5) . ?
C58A H58D 0.9800 . ?
C58A H58E 0.9800 . ?
C58A H58F 0.9800 . ?
C59A H59D 0.9800 . ?
C59A H59E 0.9800 . ?
C59A H59F 0.9800 . ?
C60A H60D 0.9800 . ?
C60A H60E 0.9800 . ?
C60A H60F 0.9800 . ?
C91 Cl93 1.744(4) . ?
C91 Cl92 1.749(4) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
