#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:34:31 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/05/1570505.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_1570505
loop_
_publ_author_name
'Haketa, Yohei'
'Komatsu, Kaifu'
'Sei, Hiroi'
'Imoba, Hiroki'
'Ota, Wataru'
'Sato, Tohru'
'Murakami, Yu'
'Tanaka, Hiroki'
'Yasuda, Nobuhiro'
'Tohnai, Norimitsu'
'Maeda, Hiromitsu'
_publ_section_title
;
 Enhanced solid-state phosphorescence of organoplatinum π-systems by
 ion-pairing assembly.
;
_journal_issue                   3
_journal_name_full               'Chemical science'
_journal_page_first              964
_journal_page_last               973
_journal_paper_doi               10.1039/d3sc04564a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety
'C22 H15 F2 N3 O2 Pt, C16 H36 N, 0.836(C2 H4 Cl2), Cl'
_chemical_formula_sum            'C39.67 H54.34 Cl2.67 F2 N4 O2 Pt'
_chemical_formula_weight         947.05
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-03-15 deposited with the CCDC.	2023-12-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.644(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.8798(14)
_cell_length_b                   16.7488(14)
_cell_length_c                   29.324(3)
_cell_measurement_reflns_used    102897
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      31.790
_cell_measurement_theta_min      0.801
_cell_volume                     8196.2(13)
_computing_cell_refinement       'Rapid Auto(Rigaku)'
_computing_data_collection       'Rapid Auto(Rigaku)'
_computing_data_reduction        'Rapid Auto(Rigaku)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 13.33
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'DECTRIS EIGER X 1M'
_diffrn_measurement_method       'Shutterless ω scans'
_diffrn_radiation_monochromator  'Si(111) Channel Cut'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.81082
_diffrn_reflns_av_R_equivalents  0.0832
_diffrn_reflns_av_unetI/netI     0.1048
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            102897
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        29.110
_diffrn_reflns_theta_max         31.790
_diffrn_reflns_theta_min         0.801
_diffrn_source                   'synchrotron radiation SPring-8 BL40XU'
_exptl_absorpt_coefficient_mu    5.074
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.639
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (T.Higashi, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3822
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         4.158
_refine_diff_density_min         -3.250
_refine_diff_density_rms         0.158
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.472(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1888
_refine_ls_number_reflns         34372
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0593
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0379P)²+27.2210P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1523
_refine_ls_wR_factor_ref         0.1592
_reflns_Friedel_coverage         0.934
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.984
_reflns_number_gt                31085
_reflns_number_total             34372
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc04564a2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1570497--1570509.cif.
;
_cod_original_cell_volume        8196.2(12)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1570505
_shelx_shelxl_version_number     2014/7
_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   0.687
_shelx_estimated_absorpt_t_max   0.905
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
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 0.19917(3) 0.29321(3) 0.35229(2) 0.02844(12) Uani 1 1 d . . . . .
Pt2 Pt 0.31865(3) 0.79283(3) 0.64768(2) 0.02687(12) Uani 1 1 d . . . . .
Pt3 Pt 0.42890(3) 0.29826(3) 0.85215(2) 0.02734(12) Uani 1 1 d . . . . .
Pt4 Pt 0.04846(3) 0.81989(3) 0.14715(2) 0.02876(12) Uani 1 1 d . . . . .
Cl1 Cl -0.09559(16) 0.96727(18) -0.01634(10) 0.0266(6) Uani 1 1 d . . . . .
Cl2 Cl 0.59142(17) 0.44865(18) 1.01159(10) 0.0276(6) Uani 1 1 d . . . . .
Cl3 Cl 0.15072(17) 0.64271(19) 0.48606(10) 0.0272(6) Uani 1 1 d . . . . .
Cl4 Cl 0.34222(16) 1.14507(19) 0.51378(10) 0.0263(6) Uani 1 1 d . . . . .
F1 F 0.0636(5) 0.3107(5) 0.1740(3) 0.052(3) Uani 1 1 d . . . . .
F2 F 0.1930(7) 0.0728(6) 0.2252(3) 0.058(3) Uani 1 1 d . . . . .
F3 F 0.4750(5) 0.8119(6) 0.8223(3) 0.055(3) Uani 1 1 d . . . . .
F4 F 0.3078(8) 0.5897(8) 0.7818(3) 0.076(4) Uani 1 1 d . . . . .
F5 F 0.2751(5) 0.2745(6) 0.6773(2) 0.048(2) Uani 1 1 d . . . . .
F6 F 0.4272(7) 0.5038(6) 0.7189(3) 0.065(3) Uani 1 1 d . . . . .
F7 F 0.1904(6) 0.8053(6) 0.3245(3) 0.066(3) Uani 1 1 d . . . . .
F8 F 0.0412(7) 1.0324(6) 0.2764(3) 0.063(3) Uani 1 1 d . . . . .
N1 N 0.1166(6) 0.6012(7) 0.3783(4) 0.030(2) Uani 1 1 d . . . . .
H1 H 0.1317 0.6052 0.4083 0.036 Uiso 1 1 calc R U . . .
N2 N 0.2795(6) 0.3239(7) 0.5149(3) 0.027(2) Uani 1 1 d . . . . .
H2 H 0.2928 0.2791 0.5023 0.032 Uiso 1 1 calc R U . . .
N3 N 0.2499(6) 0.1843(7) 0.3569(3) 0.027(2) Uani 1 1 d . . . . .
N4 N 0.3892(6) 1.1015(7) 0.6184(4) 0.029(2) Uani 1 1 d . . . . .
H4 H 0.3668 1.1061 0.5894 0.035 Uiso 1 1 calc R U . . .
N5 N 0.2171(6) 0.8212(7) 0.4872(3) 0.025(2) Uani 1 1 d . . . . .
H5 H 0.2049 0.7769 0.5008 0.030 Uiso 1 1 calc R U . . .
N6 N 0.2599(7) 0.6900(7) 0.6462(3) 0.030(2) Uani 1 1 d . . . . .
N7 N 0.3629(6) -0.0111(6) 0.8813(4) 0.027(2) Uani 1 1 d . . . . .
H7 H 0.3846 -0.0144 0.9105 0.033 Uiso 1 1 calc R U . . .
N8 N 0.5250(5) 0.2719(6) 1.0138(3) 0.025(2) Uani 1 1 d . . . . .
H8 H 0.5361 0.3170 1.0007 0.030 Uiso 1 1 calc R U . . .
N9 N 0.4837(6) 0.4005(7) 0.8536(3) 0.027(2) Uani 1 1 d . . . . .
N10 N 0.1353(6) 0.5121(6) 0.1229(4) 0.025(2) Uani 1 1 d . . . . .
H10 H 0.1159 0.5054 0.0936 0.029 Uiso 1 1 calc R U . . .
N11 N -0.0320(5) 0.7886(8) -0.0155(3) 0.0256(19) Uani 1 1 d . . . . .
H11 H -0.0440 0.8339 -0.0030 0.031 Uiso 1 1 calc R U . . .
N12 N -0.0061(7) 0.9258(6) 0.1426(4) 0.030(2) Uani 1 1 d . . . . .
N13 N 0.6511(6) 0.9836(7) 0.9416(4) 0.029(2) Uani 1 1 d . . . . .
N14 N 0.1011(5) 0.1124(7) 0.5621(3) 0.024(2) Uani 1 1 d . . . . .
N15 N 0.4013(6) 0.6244(8) 0.4521(4) 0.041(3) Uani 1 1 d . . . . .
N16 N 0.1534(7) -0.0067(8) 0.9461(4) 0.037(3) Uani 1 1 d . . . . .
O1 O 0.1494(5) 0.4008(6) 0.3414(3) 0.030(2) Uani 1 1 d . . . . .
O2 O 0.2289(5) 0.3146(5) 0.4229(3) 0.0233(18) Uani 1 1 d . . . . .
O3 O 0.3758(5) 0.8979(5) 0.6551(3) 0.0288(19) Uani 1 1 d . . . . .
O4 O 0.2793(5) 0.8133(5) 0.5776(3) 0.026(2) Uani 1 1 d . . . . .
O5 O 0.3732(5) 0.1895(5) 0.8443(3) 0.0286(19) Uani 1 1 d . . . . .
O6 O 0.4671(5) 0.2773(5) 0.9220(3) 0.0259(19) Uani 1 1 d . . . . .
O7 O 0.1002(7) 0.7151(6) 0.1582(3) 0.040(2) Uani 1 1 d . . . . .
O8 O 0.0178(5) 0.7954(6) 0.0775(3) 0.0293(18) Uani 1 1 d . . . . .
C1 C 0.0854(7) 0.6619(9) 0.3496(5) 0.032(3) Uani 1 1 d . . . . .
H1A H 0.0758 0.7151 0.3585 0.038 Uiso 1 1 calc R U . . .
C2 C 0.0705(9) 0.6312(10) 0.3051(5) 0.042(4) Uani 1 1 d . . . . .
H2A H 0.0483 0.6596 0.2782 0.051 Uiso 1 1 calc R U . . .
C3 C 0.0938(9) 0.5515(9) 0.3072(5) 0.041(3) Uani 1 1 d . . . . .
H3 H 0.0917 0.5161 0.2817 0.049 Uiso 1 1 calc R U . . .
C4 C 0.1204(7) 0.5331(8) 0.3526(4) 0.028(3) Uani 1 1 d . . . . .
C5 C 0.1530(7) 0.4577(8) 0.3716(4) 0.027(3) Uani 1 1 d . . . . .
C6 C 0.1822(6) 0.4514(8) 0.4191(4) 0.021(2) Uani 1 1 d . . . . .
H6 H 0.1789 0.4978 0.4374 0.025 Uiso 1 1 calc R U . . .
C7 C 0.2161(6) 0.3825(8) 0.4421(4) 0.023(2) Uani 1 1 d . . . . .
C8 C 0.2401(7) 0.3859(8) 0.4918(4) 0.023(2) Uani 1 1 d . . . . .
C9 C 0.2323(7) 0.4470(8) 0.5224(4) 0.024(2) Uani 1 1 d . . . . .
H9 H 0.2083 0.4977 0.5153 0.029 Uiso 1 1 calc R U . . .
C10 C 0.2678(8) 0.4188(8) 0.5673(4) 0.029(3) Uani 1 1 d . . . . .
H10A H 0.2717 0.4469 0.5957 0.035 Uiso 1 1 calc R U . . .
C11 C 0.2952(7) 0.3419(9) 0.5605(4) 0.031(3) Uani 1 1 d . . . . .
H11A H 0.3208 0.3076 0.5840 0.038 Uiso 1 1 calc R U . . .
C12 C 0.2928(7) 0.1580(8) 0.3955(4) 0.028(3) Uani 1 1 d . . . . .
H12 H 0.2981 0.1911 0.4221 0.034 Uiso 1 1 calc R U . . .
C13 C 0.3304(9) 0.0841(9) 0.3987(5) 0.039(3) Uani 1 1 d . . . . .
H13 H 0.3607 0.0657 0.4267 0.047 Uiso 1 1 calc R U . . .
C14 C 0.3209(11) 0.0376(11) 0.3577(6) 0.055(4) Uani 1 1 d . . . . .
H14 H 0.3467 -0.0128 0.3574 0.066 Uiso 1 1 calc R U . . .
C15 C 0.2744(9) 0.0656(8) 0.3183(5) 0.039(3) Uani 1 1 d . . . . .
H15 H 0.2653 0.0329 0.2916 0.046 Uiso 1 1 calc R U . . .
C16 C 0.2412(8) 0.1398(9) 0.3174(5) 0.033(3) Uani 1 1 d . . . . .
C17 C 0.1935(9) 0.1802(9) 0.2786(5) 0.036(3) Uani 1 1 d . . . . .
C18 C 0.1715(10) 0.1496(9) 0.2343(5) 0.043(4) Uani 1 1 d . . . . .
C19 C 0.1307(10) 0.1908(10) 0.1995(5) 0.046(4) Uani 1 1 d . . . . .
H19 H 0.1181 0.1683 0.1695 0.055 Uiso 1 1 calc R U . . .
C20 C 0.1077(9) 0.2672(9) 0.2087(4) 0.039(3) Uani 1 1 d . . . . .
C21 C 0.1277(8) 0.3057(7) 0.2519(4) 0.037(3) Uani 1 1 d . . . . .
H21 H 0.1130 0.3596 0.2565 0.044 Uiso 1 1 calc R U . . .
C22 C 0.1702(8) 0.2601(9) 0.2877(4) 0.033(3) Uani 1 1 d . . . . .
C23 C 0.4218(7) 1.1619(9) 0.6464(4) 0.031(3) Uani 1 1 d . . . . .
H23 H 0.4245 1.2163 0.6375 0.037 Uiso 1 1 calc R U . . .
C24 C 0.4504(8) 1.1320(9) 0.6896(5) 0.038(3) Uani 1 1 d . . . . .
H24 H 0.4758 1.1613 0.7155 0.046 Uiso 1 1 calc R U . . .
C25 C 0.4345(8) 1.0501(9) 0.6877(5) 0.037(3) Uani 1 1 d . . . . .
H25 H 0.4468 1.0131 0.7123 0.044 Uiso 1 1 calc R U . . .
C26 C 0.3977(7) 1.0327(8) 0.6437(4) 0.027(3) Uani 1 1 d . . . . .
C27 C 0.3645(7) 0.9558(8) 0.6257(4) 0.027(3) Uani 1 1 d . . . . .
C28 C 0.3237(7) 0.9494(8) 0.5801(4) 0.022(2) Uani 1 1 d . . . . .
H28 H 0.3208 0.9970 0.5623 0.027 Uiso 1 1 calc R U . . .
C29 C 0.2873(8) 0.8824(8) 0.5578(4) 0.028(3) Uani 1 1 d . . . . .
C30 C 0.2578(6) 0.8835(7) 0.5088(4) 0.020(2) Uani 1 1 d . . . . .
C31 C 0.2620(7) 0.9443(8) 0.4772(4) 0.022(2) Uani 1 1 d . . . . .
H31 H 0.2855 0.9954 0.4833 0.026 Uiso 1 1 calc R U . . .
C32 C 0.2236(8) 0.9145(8) 0.4331(4) 0.032(3) Uani 1 1 d . . . . .
H32 H 0.2170 0.9416 0.4044 0.038 Uiso 1 1 calc R U . . .
C33 C 0.1980(7) 0.8370(9) 0.4418(4) 0.031(3) Uani 1 1 d . . . . .
H33 H 0.1715 0.8014 0.4193 0.037 Uiso 1 1 calc R U . . .
C34 C 0.2136(7) 0.6615(8) 0.6086(4) 0.030(3) Uani 1 1 d . . . . .
H34 H 0.2111 0.6900 0.5804 0.036 Uiso 1 1 calc R U . . .
C35 C 0.1690(8) 0.5916(9) 0.6094(5) 0.036(3) Uani 1 1 d . . . . .
H35 H 0.1360 0.5721 0.5826 0.043 Uiso 1 1 calc R U . . .
C36 C 0.1752(10) 0.5518(10) 0.6515(5) 0.046(4) Uani 1 1 d . . . . .
H36 H 0.1438 0.5054 0.6542 0.055 Uiso 1 1 calc R U . . .
C37 C 0.2259(10) 0.5788(10) 0.6889(6) 0.042(4) Uani 1 1 d . . . . .
H37 H 0.2334 0.5482 0.7164 0.050 Uiso 1 1 calc R U . . .
C38 C 0.2655(9) 0.6482(9) 0.6873(5) 0.036(3) Uani 1 1 d . . . . .
C39 C 0.3203(9) 0.6875(10) 0.7245(5) 0.039(3) Uani 1 1 d . . . . .
C40 C 0.3393(10) 0.6612(10) 0.7696(5) 0.049(4) Uani 1 1 d . . . . .
C41 C 0.3892(11) 0.7002(11) 0.8022(5) 0.055(5) Uani 1 1 d . . . . .
H41 H 0.4017 0.6799 0.8327 0.066 Uiso 1 1 calc R U . . .
C42 C 0.4214(9) 0.7712(10) 0.7895(4) 0.044(4) Uani 1 1 d . . . . .
C43 C 0.4047(7) 0.8048(8) 0.7451(4) 0.033(3) Uani 1 1 d . . . . .
H43 H 0.4277 0.8540 0.7377 0.040 Uiso 1 1 calc R U . . .
C44 C 0.3524(8) 0.7618(7) 0.7126(4) 0.028(3) Uani 1 1 d . . . . .
C45 C 0.3326(7) -0.0747(9) 0.8544(4) 0.032(3) Uani 1 1 d . . . . .
H45 H 0.3315 -0.1288 0.8641 0.038 Uiso 1 1 calc R U . . .
C46 C 0.3046(8) -0.0465(8) 0.8117(4) 0.033(3) Uani 1 1 d . . . . .
H46 H 0.2812 -0.0772 0.7859 0.040 Uiso 1 1 calc R U . . .
C47 C 0.3166(7) 0.0365(8) 0.8127(4) 0.031(3) Uani 1 1 d . . . . .
H47 H 0.3014 0.0723 0.7878 0.038 Uiso 1 1 calc R U . . .
C48 C 0.3545(7) 0.0572(8) 0.8565(4) 0.029(3) Uani 1 1 d . . . . .
C49 C 0.3854(7) 0.1344(8) 0.8747(4) 0.027(3) Uani 1 1 d . . . . .
C50 C 0.4232(7) 0.1414(8) 0.9199(4) 0.024(2) Uani 1 1 d . . . . .
H50 H 0.4262 0.0945 0.9383 0.029 Uiso 1 1 calc R U . . .
C51 C 0.4581(7) 0.2122(8) 0.9413(4) 0.021(2) Uani 1 1 d . . . . .
C52 C 0.4858(7) 0.2084(8) 0.9915(4) 0.023(2) Uani 1 1 d . . . . .
C53 C 0.4786(7) 0.1496(8) 1.0241(4) 0.029(3) Uani 1 1 d . . . . .
H53 H 0.4536 0.0990 1.0186 0.035 Uiso 1 1 calc R U . . .
C54 C 0.5152(8) 0.1796(9) 1.0663(5) 0.036(3) Uani 1 1 d . . . . .
H54 H 0.5194 0.1525 1.0950 0.044 Uiso 1 1 calc R U . . .
C55 C 0.5443(7) 0.2543(8) 1.0598(4) 0.029(3) Uani 1 1 d . . . . .
H55 H 0.5726 0.2878 1.0828 0.034 Uiso 1 1 calc R U . . .
C56 C 0.5319(7) 0.4303(8) 0.8902(5) 0.033(3) Uani 1 1 d . . . . .
H56 H 0.5372 0.4009 0.9182 0.039 Uiso 1 1 calc R U . . .
C57 C 0.5746(8) 0.5014(9) 0.8899(4) 0.033(3) Uani 1 1 d . . . . .
H57 H 0.6091 0.5189 0.9167 0.039 Uiso 1 1 calc R U . . .
C58 C 0.5656(9) 0.5460(9) 0.8496(5) 0.043(4) Uani 1 1 d . . . . .
H58 H 0.5914 0.5962 0.8489 0.052 Uiso 1 1 calc R U . . .
C59 C 0.5176(11) 0.5160(10) 0.8099(5) 0.048(4) Uani 1 1 d . . . . .
H59 H 0.5140 0.5439 0.7815 0.058 Uiso 1 1 calc R U . . .
C60 C 0.4748(8) 0.4436(9) 0.8127(4) 0.034(3) Uani 1 1 d . . . . .
C61 C 0.4237(9) 0.4037(9) 0.7761(4) 0.034(3) Uani 1 1 d . . . . .
C62 C 0.4011(10) 0.4304(10) 0.7316(5) 0.046(4) Uani 1 1 d . . . . .
C63 C 0.3519(9) 0.3876(9) 0.6969(4) 0.037(3) Uani 1 1 d . . . . .
H63 H 0.3380 0.4075 0.6664 0.045 Uiso 1 1 calc R U . . .
C64 C 0.3256(8) 0.3154(8) 0.7103(4) 0.035(3) Uani 1 1 d . . . . .
C65 C 0.3434(8) 0.2812(9) 0.7531(4) 0.038(3) Uani 1 1 d . . . . .
H65 H 0.3235 0.2301 0.7597 0.045 Uiso 1 1 calc R U . . .
C66 C 0.3935(7) 0.3267(9) 0.7874(4) 0.031(3) Uani 1 1 d . . . . .
C67 C 0.1706(7) 0.4540(8) 0.1517(4) 0.030(3) Uani 1 1 d . . . . .
H67 H 0.1779 0.3999 0.1437 0.036 Uiso 1 1 calc R U . . .
C68 C 0.1933(9) 0.4871(11) 0.1937(5) 0.047(4) Uani 1 1 d . . . . .
H68 H 0.2197 0.4603 0.2202 0.057 Uiso 1 1 calc R U . . .
C69 C 0.1710(9) 0.5682(10) 0.1914(5) 0.044(4) Uani 1 1 d . . . . .
H69 H 0.1794 0.6057 0.2160 0.053 Uiso 1 1 calc R U . . .
C70 C 0.1347(8) 0.5831(8) 0.1468(4) 0.030(3) Uani 1 1 d . . . . .
C71 C 0.0995(8) 0.6584(8) 0.1275(4) 0.029(3) Uani 1 1 d . . . . .
C72 C 0.0663(7) 0.6627(8) 0.0811(4) 0.024(3) Uani 1 1 d . . . . .
H72 H 0.0667 0.6153 0.0633 0.029 Uiso 1 1 calc R U . . .
C73 C 0.0325(6) 0.7310(7) 0.0585(4) 0.019(2) Uani 1 1 d . . . . .
C74 C 0.0062(7) 0.7259(8) 0.0082(4) 0.025(3) Uani 1 1 d . . . . .
C75 C 0.0154(7) 0.6676(8) -0.0237(4) 0.029(3) Uani 1 1 d . . . . .
H75 H 0.0408 0.6173 -0.0176 0.035 Uiso 1 1 calc R U . . .
C76 C -0.0194(8) 0.6962(9) -0.0666(5) 0.034(3) Uani 1 1 d . . . . .
H76 H -0.0224 0.6683 -0.0950 0.040 Uiso 1 1 calc R U . . .
C77 C -0.0487(7) 0.7711(8) -0.0611(4) 0.028(3) Uani 1 1 d . . . . .
H77 H -0.0756 0.8045 -0.0847 0.034 Uiso 1 1 calc R U . . .
C78 C -0.0500(7) 0.9527(8) 0.1036(5) 0.029(3) Uani 1 1 d . . . . .
H78 H -0.0540 0.9215 0.0763 0.034 Uiso 1 1 calc R U . . .
C79 C -0.0891(8) 1.0246(9) 0.1026(5) 0.032(3) Uani 1 1 d . . . . .
H79 H -0.1203 1.0430 0.0749 0.038 Uiso 1 1 calc R U . . .
C80 C -0.0826(9) 1.0702(9) 0.1425(5) 0.040(3) Uani 1 1 d . . . . .
H80 H -0.1072 1.1212 0.1423 0.048 Uiso 1 1 calc R U . . .
C81 C -0.0398(11) 1.0399(10) 0.1824(6) 0.047(4) Uani 1 1 d . . . . .
H81 H -0.0379 1.0691 0.2104 0.056 Uiso 1 1 calc R U . . .
C82 C -0.0001(9) 0.9688(9) 0.1828(5) 0.037(3) Uani 1 1 d . . . . .
C83 C 0.0477(9) 0.9291(9) 0.2217(4) 0.035(3) Uani 1 1 d . . . . .
C84 C 0.0686(10) 0.9599(10) 0.2664(5) 0.046(4) Uani 1 1 d . . . . .
C85 C 0.1142(11) 0.9187(11) 0.3016(5) 0.056(5) Uani 1 1 d . . . . .
H85 H 0.1262 0.9399 0.3319 0.067 Uiso 1 1 calc R U . . .
C86 C 0.1411(9) 0.8452(10) 0.2903(5) 0.044(4) Uani 1 1 d . . . . .
C87 C 0.1214(9) 0.8115(7) 0.2473(4) 0.041(4) Uani 1 1 d . . . . .
H87 H 0.1381 0.7586 0.2421 0.050 Uiso 1 1 calc R U . . .
C88 C 0.0777(8) 0.8537(9) 0.2118(4) 0.036(3) Uani 1 1 d . . . . .
C89 C 0.5792(7) 0.9825(9) 0.9017(4) 0.031(3) Uani 1 1 d . . . . .
H89A H 0.5398 0.9428 0.9093 0.037 Uiso 1 1 calc R U . . .
H89B H 0.5530 1.0355 0.9004 0.037 Uiso 1 1 calc R U . . .
C90 C 0.5988(8) 0.9633(10) 0.8537(5) 0.043(3) Uani 1 1 d . . . . .
H90A H 0.6488 0.9911 0.8491 0.051 Uiso 1 1 calc R U . . .
H90B H 0.6077 0.9051 0.8511 0.051 Uiso 1 1 calc R U . . .
C91 C 0.5315(8) 0.9890(9) 0.8169(4) 0.038(3) Uani 1 1 d . . . . .
H91A H 0.4795 0.9731 0.8258 0.045 Uiso 1 1 calc R U . . .
H91B H 0.5370 0.9623 0.7874 0.045 Uiso 1 1 calc R U . . .
C92 C 0.5337(12) 1.0810(12) 0.8105(6) 0.065(5) Uani 1 1 d . . . . .
H92A H 0.5221 1.1073 0.8386 0.097 Uiso 1 1 calc R U . . .
H92B H 0.4935 1.0967 0.7844 0.097 Uiso 1 1 calc R U . . .
H92C H 0.5871 1.0971 0.8045 0.097 Uiso 1 1 calc R U . . .
C93 C 0.7042(7) 1.0545(8) 0.9352(5) 0.027(3) Uani 1 1 d . . . . .
H93A H 0.7206 1.0508 0.9042 0.033 Uiso 1 1 calc R U . . .
H93B H 0.7534 1.0509 0.9582 0.033 Uiso 1 1 calc R U . . .
C94 C 0.6659(7) 1.1367(8) 0.9398(4) 0.027(3) Uani 1 1 d . . . . .
H94A H 0.6511 1.1429 0.9710 0.033 Uiso 1 1 calc R U . . .
H94B H 0.6168 1.1421 0.9168 0.033 Uiso 1 1 calc R U . . .
C95 C 0.7288(10) 1.2027(9) 0.9313(6) 0.045(4) Uani 1 1 d . . . . .
H95A H 0.7777 1.1970 0.9543 0.054 Uiso 1 1 calc R U . . .
H95B H 0.7441 1.1957 0.9002 0.054 Uiso 1 1 calc R U . . .
C96 C 0.6938(9) 1.2842(11) 0.9350(6) 0.052(4) Uani 1 1 d . . . . .
H96A H 0.6440 1.2888 0.9132 0.077 Uiso 1 1 calc R U . . .
H96B H 0.7320 1.3246 0.9278 0.077 Uiso 1 1 calc R U . . .
H96C H 0.6826 1.2925 0.9665 0.077 Uiso 1 1 calc R U . . .
C97 C 0.6190(7) 0.9869(9) 0.9865(4) 0.032(3) Uani 1 1 d . . . . .
H97A H 0.5902 0.9364 0.9902 0.039 Uiso 1 1 calc R U . . .
H97B H 0.5794 1.0307 0.9848 0.039 Uiso 1 1 calc R U . . .
C98 C 0.6800(7) 0.9992(9) 1.0290(4) 0.032(3) Uani 1 1 d . . . . .
H98A H 0.6990 1.0551 1.0302 0.038 Uiso 1 1 calc R U . . .
H98B H 0.7266 0.9638 1.0279 0.038 Uiso 1 1 calc R U . . .
C99 C 0.6420(8) 0.9805(9) 1.0716(5) 0.040(3) Uani 1 1 d . . . . .
H99A H 0.6260 0.9236 1.0709 0.048 Uiso 1 1 calc R U . . .
H99B H 0.5929 1.0131 1.0710 0.048 Uiso 1 1 calc R U . . .
C100 C 0.6980(10) 0.9970(11) 1.1166(5) 0.049(4) Uani 1 1 d . . . . .
H10B H 0.7494 0.9703 1.1158 0.074 Uiso 1 1 calc R U . . .
H10C H 0.6738 0.9767 1.1426 0.074 Uiso 1 1 calc R U . . .
H10D H 0.7068 1.0547 1.1201 0.074 Uiso 1 1 calc R U . . .
C101 C 0.7018(6) 0.9081(8) 0.9396(5) 0.028(3) Uani 1 1 d . . . . .
H10E H 0.7188 0.9055 0.9087 0.034 Uiso 1 1 calc R U . . .
H10F H 0.7508 0.9134 0.9626 0.034 Uiso 1 1 calc R U . . .
C102 C 0.6614(8) 0.8294(9) 0.9482(6) 0.041(3) Uani 1 1 d . . . . .
H10G H 0.6072 0.8277 0.9299 0.049 Uiso 1 1 calc R U . . .
H10H H 0.6556 0.8255 0.9813 0.049 Uiso 1 1 calc R U . . .
C103 C 0.7107(8) 0.7591(9) 0.9351(5) 0.038(3) Uani 1 1 d . . . . .
H10I H 0.7676 0.7679 0.9481 0.046 Uiso 1 1 calc R U . . .
H10J H 0.6927 0.7100 0.9492 0.046 Uiso 1 1 calc R U . . .
C104 C 0.7049(11) 0.7463(11) 0.8842(6) 0.062(5) Uani 1 1 d . . . . .
H10K H 0.6485 0.7401 0.8706 0.093 Uiso 1 1 calc R U . . .
H10L H 0.7346 0.6980 0.8783 0.093 Uiso 1 1 calc R U . . .
H10M H 0.7278 0.7923 0.8702 0.093 Uiso 1 1 calc R U . . .
C105 C 0.1340(7) 0.1082(8) 0.5166(4) 0.027(3) Uani 1 1 d . . . . .
H10N H 0.1697 0.0612 0.5174 0.033 Uiso 1 1 calc R U . . .
H10O H 0.1671 0.1563 0.5140 0.033 Uiso 1 1 calc R U . . .
C106 C 0.0709(7) 0.1026(8) 0.4735(4) 0.029(3) Uani 1 1 d . . . . .
H10P H 0.0271 0.1410 0.4757 0.034 Uiso 1 1 calc R U . . .
H10Q H 0.0478 0.0482 0.4708 0.034 Uiso 1 1 calc R U . . .
C107 C 0.1108(7) 0.1216(9) 0.4308(4) 0.032(3) Uani 1 1 d . . . . .
H10R H 0.1273 0.1783 0.4319 0.039 Uiso 1 1 calc R U . . .
H10S H 0.1596 0.0885 0.4317 0.039 Uiso 1 1 calc R U . . .
C108 C 0.0558(9) 0.1061(10) 0.3865(4) 0.039(3) Uani 1 1 d . . . . .
H10T H 0.0430 0.0491 0.3840 0.058 Uiso 1 1 calc R U . . .
H10U H 0.0822 0.1224 0.3604 0.058 Uiso 1 1 calc R U . . .
H10V H 0.0063 0.1369 0.3862 0.058 Uiso 1 1 calc R U . . .
C109 C 0.0520(8) 0.1877(8) 0.5659(5) 0.031(3) Uani 1 1 d . . . . .
H10W H 0.0350 0.1888 0.5968 0.037 Uiso 1 1 calc R U . . .
H10X H 0.0030 0.1849 0.5428 0.037 Uiso 1 1 calc R U . . .
C110 C 0.0958(8) 0.2655(9) 0.5590(5) 0.042(3) Uani 1 1 d . . . . .
H11B H 0.1010 0.2715 0.5260 0.050 Uiso 1 1 calc R U . . .
H11C H 0.1503 0.2638 0.5769 0.050 Uiso 1 1 calc R U . . .
C111 C 0.0499(9) 0.3376(10) 0.5746(6) 0.049(4) Uani 1 1 d . . . . .
H11D H 0.0701 0.3869 0.5617 0.058 Uiso 1 1 calc R U . . .
H11E H -0.0075 0.3322 0.5618 0.058 Uiso 1 1 calc R U . . .
C112 C 0.0578(10) 0.3460(10) 0.6270(6) 0.057(4) Uani 1 1 d . . . . .
H11F H 0.0354 0.2986 0.6399 0.085 Uiso 1 1 calc R U . . .
H11G H 0.0285 0.3936 0.6346 0.085 Uiso 1 1 calc R U . . .
H11H H 0.1144 0.3514 0.6400 0.085 Uiso 1 1 calc R U . . .
C113 C 0.1724(7) 0.1095(9) 0.6008(4) 0.031(3) Uani 1 1 d . . . . .
H11I H 0.2113 0.1512 0.5950 0.037 Uiso 1 1 calc R U . . .
H11J H 0.1993 0.0571 0.5998 0.037 Uiso 1 1 calc R U . . .
C114 C 0.1513(7) 0.1219(10) 0.6502(4) 0.036(3) Uani 1 1 d . . . . .
H11K H 0.1415 0.1794 0.6549 0.043 Uiso 1 1 calc R U . . .
H11L H 0.1011 0.0929 0.6528 0.043 Uiso 1 1 calc R U . . .
C115 C 0.2163(10) 0.0933(10) 0.6877(5) 0.044(4) Uani 1 1 d . . . . .
H11M H 0.2058 0.1145 0.7178 0.053 Uiso 1 1 calc R U . . .
H11N H 0.2685 0.1147 0.6819 0.053 Uiso 1 1 calc R U . . .
C116 C 0.2211(10) 0.0017(10) 0.6904(5) 0.049(4) Uani 1 1 d . . . . .
H11O H 0.1699 -0.0197 0.6969 0.073 Uiso 1 1 calc R U . . .
H11P H 0.2640 -0.0141 0.7151 0.073 Uiso 1 1 calc R U . . .
H11Q H 0.2324 -0.0196 0.6609 0.073 Uiso 1 1 calc R U . . .
C117 C 0.0443(7) 0.0422(8) 0.5653(4) 0.025(2) Uani 1 1 d . . . . .
H11R H -0.0032 0.0494 0.5414 0.030 Uiso 1 1 calc R U . . .
H11S H 0.0257 0.0444 0.5957 0.030 Uiso 1 1 calc R U . . .
C118 C 0.0788(7) -0.0409(9) 0.5594(4) 0.029(3) Uani 1 1 d . . . . .
H11T H 0.0977 -0.0447 0.5291 0.035 Uiso 1 1 calc R U . . .
H11U H 0.1251 -0.0505 0.5838 0.035 Uiso 1 1 calc R U . . .
C119 C 0.0149(7) -0.1026(8) 0.5626(5) 0.033(3) Uani 1 1 d . . . . .
H11V H -0.0321 -0.0911 0.5390 0.040 Uiso 1 1 calc R U . . .
H11W H -0.0026 -0.0992 0.5933 0.040 Uiso 1 1 calc R U . . .
C120 C 0.0447(8) -0.1877(8) 0.5553(5) 0.041(4) Uani 1 1 d . . . . .
H12A H 0.0558 -0.1932 0.5236 0.061 Uiso 1 1 calc R U . . .
H12B H 0.0034 -0.2263 0.5607 0.061 Uiso 1 1 calc R U . . .
H12C H 0.0938 -0.1978 0.5769 0.061 Uiso 1 1 calc R U . . .
C121 C 0.3253(8) 0.6295(11) 0.4185(7) 0.069(6) Uani 1 1 d . . . . .
H12D H 0.3012 0.5755 0.4167 0.083 Uiso 1 1 calc R U . . .
H12E H 0.2885 0.6646 0.4327 0.083 Uiso 1 1 calc R U . . .
C122 C 0.3239(14) 0.6570(15) 0.3715(7) 0.093(7) Uani 1 1 d . . . . .
H12F H 0.2703 0.6792 0.3600 0.112 Uiso 1 1 calc R U . . .
H12G H 0.3635 0.7005 0.3712 0.112 Uiso 1 1 calc R U . . .
C123 C 0.3408(15) 0.5977(15) 0.3424(8) 0.100(9) Uani 1 1 d . . . . .
H12H H 0.3106 0.5490 0.3481 0.120 Uiso 1 1 calc R U . . .
H12I H 0.3987 0.5850 0.3486 0.120 Uiso 1 1 calc R U . . .
C124 C 0.3183(12) 0.6231(14) 0.2917(8) 0.111(10) Uani 1 1 d . . . . .
H12J H 0.2598 0.6256 0.2839 0.166 Uiso 1 1 calc R U . . .
H12K H 0.3395 0.5841 0.2718 0.166 Uiso 1 1 calc R U . . .
H12L H 0.3412 0.6758 0.2873 0.166 Uiso 1 1 calc R U . . .
C125 C 0.4536(8) 0.6965(9) 0.4497(5) 0.041(4) Uani 1 1 d . . . . .
H12M H 0.4677 0.7003 0.4182 0.050 Uiso 1 1 calc R U . . .
H12N H 0.5040 0.6887 0.4713 0.050 Uiso 1 1 calc R U . . .
C126 C 0.4153(8) 0.7770(9) 0.4616(5) 0.047(4) Uani 1 1 d . . . . .
H12O H 0.3599 0.7804 0.4450 0.056 Uiso 1 1 calc R U . . .
H12P H 0.4130 0.7792 0.4951 0.056 Uiso 1 1 calc R U . . .
C127 C 0.4641(10) 0.8484(10) 0.4479(6) 0.052(4) Uani 1 1 d . . . . .
H12Q H 0.4444 0.8977 0.4610 0.062 Uiso 1 1 calc R U . . .
H12R H 0.5209 0.8412 0.4617 0.062 Uiso 1 1 calc R U . . .
C128 C 0.4595(11) 0.8587(12) 0.3963(7) 0.070(5) Uani 1 1 d . . . . .
H12S H 0.4805 0.8108 0.3831 0.105 Uiso 1 1 calc R U . . .
H12T H 0.4914 0.9051 0.3900 0.105 Uiso 1 1 calc R U . . .
H12U H 0.4035 0.8669 0.3824 0.105 Uiso 1 1 calc R U . . .
C129 C 0.3756(8) 0.6169(10) 0.5004(6) 0.050(4) Uani 1 1 d . . . . .
H12V H 0.3450 0.6653 0.5062 0.060 Uiso 1 1 calc R U . . .
H12W H 0.3388 0.5707 0.5000 0.060 Uiso 1 1 calc R U . . .
C130 C 0.4423(9) 0.6064(10) 0.5402(5) 0.044(4) Uani 1 1 d . . . . .
H13A H 0.4858 0.6451 0.5377 0.053 Uiso 1 1 calc R U . . .
H13B H 0.4648 0.5518 0.5399 0.053 Uiso 1 1 calc R U . . .
C131 C 0.4070(10) 0.6206(9) 0.5854(6) 0.053(5) Uani 1 1 d . . . . .
H13C H 0.3850 0.6754 0.5851 0.064 Uiso 1 1 calc R U . . .
H13D H 0.3622 0.5828 0.5866 0.064 Uiso 1 1 calc R U . . .
C132 C 0.4686(12) 0.6100(11) 0.6283(6) 0.067(6) Uani 1 1 d . . . . .
H13E H 0.4855 0.5540 0.6310 0.100 Uiso 1 1 calc R U . . .
H13F H 0.4449 0.6252 0.6556 0.100 Uiso 1 1 calc R U . . .
H13G H 0.5152 0.6439 0.6261 0.100 Uiso 1 1 calc R U . . .
C133 C 0.4529(8) 0.5527(9) 0.4432(5) 0.034(3) Uani 1 1 d . . . . .
H13H H 0.4710 0.5605 0.4129 0.041 Uiso 1 1 calc R U . . .
H13I H 0.5012 0.5527 0.4669 0.041 Uiso 1 1 calc R U . . .
C134 C 0.4141(8) 0.4710(10) 0.4431(5) 0.039(3) Uani 1 1 d . . . . .
H13J H 0.3633 0.4706 0.4213 0.046 Uiso 1 1 calc R U . . .
H13K H 0.4017 0.4586 0.4743 0.046 Uiso 1 1 calc R U . . .
C135 C 0.4711(7) 0.4084(9) 0.4289(5) 0.039(3) Uani 1 1 d . . . . .
H13L H 0.5218 0.4098 0.4508 0.047 Uiso 1 1 calc R U . . .
H13M H 0.4839 0.4220 0.3979 0.047 Uiso 1 1 calc R U . . .
C136 C 0.4364(9) 0.3236(11) 0.4276(5) 0.053(4) Uani 1 1 d . . . . .
H13N H 0.4255 0.3090 0.4584 0.079 Uiso 1 1 calc R U . . .
H13O H 0.4751 0.2860 0.4179 0.079 Uiso 1 1 calc R U . . .
H13P H 0.3865 0.3217 0.4057 0.079 Uiso 1 1 calc R U . . .
C137 C 0.0830(8) -0.0067(10) 0.9048(5) 0.037(3) Uani 1 1 d . . . . .
H13Q H 0.0437 -0.0477 0.9108 0.044 Uiso 1 1 calc R U . . .
H13R H 0.0559 0.0458 0.9040 0.044 Uiso 1 1 calc R U . . .
C138 C 0.1065(8) -0.0222(10) 0.8585(5) 0.043(4) Uani 1 1 d . . . . .
H13S H 0.1263 -0.0777 0.8576 0.052 Uiso 1 1 calc R U . . .
H13T H 0.1510 0.0140 0.8540 0.052 Uiso 1 1 calc R U . . .
C139 C 0.0387(8) -0.0103(12) 0.8198(5) 0.049(4) Uani 1 1 d . . . . .
H13U H 0.0195 0.0456 0.8194 0.059 Uiso 1 1 calc R U . . .
H13V H -0.0065 -0.0461 0.8238 0.059 Uiso 1 1 calc R U . . .
C140 C 0.0693(9) -0.0294(11) 0.7749(5) 0.057(4) Uani 1 1 d . . . . .
H14A H 0.1280 -0.0292 0.7801 0.086 Uiso 1 1 calc R U . . .
H14B H 0.0497 0.0109 0.7517 0.086 Uiso 1 1 calc R U . . .
H14C H 0.0500 -0.0822 0.7640 0.086 Uiso 1 1 calc R U . . .
C141 C 0.2082(7) 0.0640(9) 0.9404(5) 0.033(3) Uani 1 1 d . . . . .
H14D H 0.2268 0.0593 0.9101 0.040 Uiso 1 1 calc R U . . .
H14E H 0.2559 0.0602 0.9645 0.040 Uiso 1 1 calc R U . . .
C142 C 0.1705(7) 0.1466(9) 0.9435(4) 0.030(3) Uani 1 1 d . . . . .
H14F H 0.1546 0.1541 0.9744 0.036 Uiso 1 1 calc R U . . .
H14G H 0.1220 0.1514 0.9201 0.036 Uiso 1 1 calc R U . . .
C143 C 0.2321(8) 0.2107(8) 0.9352(5) 0.032(3) Uani 1 1 d . . . . .
H14H H 0.2802 0.2061 0.9589 0.039 Uiso 1 1 calc R U . . .
H14I H 0.2489 0.2021 0.9046 0.039 Uiso 1 1 calc R U . . .
C144 C 0.1966(8) 0.2931(12) 0.9370(6) 0.048(3) Uani 1 1 d . . . . .
H14J H 0.1444 0.2949 0.9172 0.072 Uiso 1 1 calc R U . . .
H14K H 0.2326 0.3323 0.9261 0.072 Uiso 1 1 calc R U . . .
H14L H 0.1898 0.3056 0.9688 0.072 Uiso 1 1 calc R U . . .
C145 C 0.1190(8) -0.0026(9) 0.9904(5) 0.036(3) Uani 1 1 d . . . . .
H14M H 0.0815 0.0431 0.9886 0.044 Uiso 1 1 calc R U . . .
H14N H 0.0875 -0.0517 0.9932 0.044 Uiso 1 1 calc R U . . .
C146 C 0.1792(8) 0.0063(9) 1.0332(5) 0.038(3) Uani 1 1 d . . . . .
H14O H 0.2013 0.0612 1.0349 0.045 Uiso 1 1 calc R U . . .
H14P H 0.2241 -0.0315 1.0321 0.045 Uiso 1 1 calc R U . . .
C147 C 0.1401(9) -0.0104(10) 1.0756(5) 0.046(4) Uani 1 1 d . . . . .
H14Q H 0.1174 -0.0651 1.0733 0.056 Uiso 1 1 calc R U . . .
H14R H 0.0952 0.0274 1.0762 0.056 Uiso 1 1 calc R U . . .
C148 C 0.1978(10) -0.0031(11) 1.1206(5) 0.050(4) Uani 1 1 d . . . . .
H14S H 0.2457 -0.0353 1.1187 0.074 Uiso 1 1 calc R U . . .
H14T H 0.1716 -0.0221 1.1462 0.074 Uiso 1 1 calc R U . . .
H14U H 0.2133 0.0530 1.1258 0.074 Uiso 1 1 calc R U . . .
C149 C 0.2037(8) -0.0821(9) 0.9455(5) 0.035(3) Uani 1 1 d . . . . .
H14V H 0.2221 -0.0856 0.9150 0.042 Uiso 1 1 calc R U . . .
H14W H 0.2520 -0.0762 0.9690 0.042 Uiso 1 1 calc R U . . .
C150 C 0.1633(9) -0.1603(10) 0.9543(7) 0.056(5) Uani 1 1 d . . . . .
H15A H 0.1088 -0.1615 0.9362 0.068 Uiso 1 1 calc R U . . .
H15B H 0.1581 -0.1642 0.9874 0.068 Uiso 1 1 calc R U . . .
C151 C 0.2119(10) -0.2320(10) 0.9406(7) 0.053(4) Uani 1 1 d . . . . .
H15C H 0.2695 -0.2226 0.9515 0.064 Uiso 1 1 calc R U . . .
H15D H 0.1958 -0.2805 0.9562 0.064 Uiso 1 1 calc R U . . .
C152 C 0.2000(11) -0.2457(13) 0.8903(7) 0.074(6) Uani 1 1 d . . . . .
H15E H 0.1427 -0.2527 0.8791 0.111 Uiso 1 1 calc R U . . .
H15F H 0.2292 -0.2938 0.8835 0.111 Uiso 1 1 calc R U . . .
H15G H 0.2201 -0.1996 0.8749 0.111 Uiso 1 1 calc R U . . .
Cl5 Cl 0.1326(3) 0.1820(3) 0.80887(17) 0.0592(14) Uani 0.872(9) 1 d . . P . .
Cl6 Cl 0.1566(3) 0.4153(3) 0.7521(2) 0.0637(16) Uani 0.872(9) 1 d . . P . .
C153 C 0.1540(11) 0.2834(10) 0.8074(6) 0.049(3) Uani 0.872(9) 1 d . . P . .
H15H H 0.1228 0.3132 0.8278 0.059 Uiso 0.872(9) 1 calc R U P . .
H15I H 0.2117 0.2928 0.8181 0.059 Uiso 0.872(9) 1 calc R U P . .
C154 C 0.1314(11) 0.3122(8) 0.7568(6) 0.049(3) Uani 0.872(9) 1 d . . P . .
H15J H 0.0732 0.3048 0.7468 0.059 Uiso 0.872(9) 1 calc R U P . .
H15K H 0.1604 0.2799 0.7364 0.059 Uiso 0.872(9) 1 calc R U P . .
Cl7 Cl 0.6330(5) 0.3937(5) 0.72499(19) 0.107(3) Uani 0.796(9) 1 d . . P . .
Cl8 Cl 0.6166(3) 0.2748(4) 0.8129(2) 0.0675(18) Uani 0.796(9) 1 d . . P . .
C155 C 0.6918(15) 0.3964(13) 0.7762(8) 0.067(7) Uani 0.796(9) 1 d . . P . .
H15L H 0.6676 0.4328 0.7968 0.080 Uiso 0.796(9) 1 calc R U P . .
H15M H 0.7445 0.4189 0.7720 0.080 Uiso 0.796(9) 1 calc R U P . .
C156 C 0.7069(13) 0.303(2) 0.8028(8) 0.119(16) Uani 0.796(9) 1 d . . P . .
H15N H 0.7287 0.2648 0.7824 0.142 Uiso 0.796(9) 1 calc R U P . .
H15O H 0.7446 0.3077 0.8320 0.142 Uiso 0.796(9) 1 calc R U P . .
Cl9 Cl 0.3788(3) 0.4094(3) 0.29889(16) 0.0573(13) Uani 0.867(8) 1 d . . P . .
Cl10 Cl 0.3913(3) 0.1739(3) 0.24389(16) 0.0578(14) Uani 0.867(8) 1 d . . P . .
C157 C 0.3963(10) 0.3045(11) 0.2985(7) 0.062(6) Uani 0.867(8) 1 d . . P . .
H15P H 0.4534 0.2927 0.3096 0.074 Uiso 0.867(8) 1 calc R U P . .
H15Q H 0.3632 0.2769 0.3188 0.074 Uiso 0.867(8) 1 calc R U P . .
C158 C 0.3728(10) 0.2766(12) 0.2477(5) 0.056(5) Uani 0.867(8) 1 d . . P . .
H15R H 0.4045 0.3063 0.2276 0.067 Uiso 0.867(8) 1 calc R U P . .
H15S H 0.3154 0.2876 0.2373 0.067 Uiso 0.867(8) 1 calc R U P . .
Cl11 Cl 0.1227(2) -0.1819(3) 0.67422(14) 0.0436(11) Uani 0.808(8) 1 d . . P . .
Cl12 Cl 0.1040(3) -0.2739(3) 0.77111(16) 0.0580(15) Uani 0.808(8) 1 d . . P . .
C159 C 0.0317(8) -0.2165(9) 0.6900(5) 0.035(3) Uani 0.808(8) 1 d . . P . .
H15T H 0.0089 -0.1745 0.7079 0.042 Uiso 0.808(8) 1 calc R U P . .
H15U H -0.0070 -0.2269 0.6617 0.042 Uiso 0.808(8) 1 calc R U P . .
C160 C 0.0432(9) -0.2912(9) 0.7182(5) 0.032(3) Uani 0.808(8) 1 d . . P . .
H16A H 0.0682 -0.3326 0.7008 0.039 Uiso 0.808(8) 1 calc R U P . .
H16B H -0.0096 -0.3114 0.7238 0.039 Uiso 0.808(8) 1 calc R U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0045 0.0022 '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 0.1812 0.2072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0231 0.0137 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0085 0.0044 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0146 0.0081 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -3.3179 10.3664 '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
C22 Pt1 O1 93.6(5) . . ?
C22 Pt1 N3 81.4(5) . . ?
O1 Pt1 N3 174.7(4) . . ?
C22 Pt1 O2 173.4(5) . . ?
O1 Pt1 O2 92.0(3) . . ?
N3 Pt1 O2 93.0(4) . . ?
C44 Pt2 N6 82.1(5) . . ?
C44 Pt2 O3 93.5(5) . . ?
N6 Pt2 O3 174.7(4) . . ?
C44 Pt2 O4 174.0(4) . . ?
N6 Pt2 O4 92.1(4) . . ?
O3 Pt2 O4 92.3(3) . . ?
N9 Pt3 C66 83.2(5) . . ?
N9 Pt3 O5 174.6(4) . . ?
C66 Pt3 O5 92.3(5) . . ?
N9 Pt3 O6 92.9(4) . . ?
C66 Pt3 O6 175.6(5) . . ?
O5 Pt3 O6 91.7(3) . . ?
O7 Pt4 C88 93.3(5) . . ?
O7 Pt4 N12 174.2(4) . . ?
C88 Pt4 N12 81.7(5) . . ?
O7 Pt4 O8 91.4(4) . . ?
C88 Pt4 O8 174.7(5) . . ?
N12 Pt4 O8 93.7(4) . . ?
C1 N1 C4 108.8(10) . . ?
C1 N1 H1 125.6 . . ?
C4 N1 H1 125.6 . . ?
C11 N2 C8 109.2(12) . . ?
C11 N2 H2 125.4 . . ?
C8 N2 H2 125.4 . . ?
C12 N3 C16 121.2(12) . . ?
C12 N3 Pt1 122.2(9) . . ?
C16 N3 Pt1 116.6(9) . . ?
C23 N4 C26 107.3(10) . . ?
C23 N4 H4 126.3 . . ?
C26 N4 H4 126.3 . . ?
C33 N5 C30 109.8(11) . . ?
C33 N5 H5 125.1 . . ?
C30 N5 H5 125.1 . . ?
C34 N6 C38 119.4(12) . . ?
C34 N6 Pt2 123.7(8) . . ?
C38 N6 Pt2 116.9(9) . . ?
C48 N7 C45 110.3(10) . . ?
C48 N7 H7 124.9 . . ?
C45 N7 H7 124.9 . . ?
C52 N8 C55 109.3(10) . . ?
C52 N8 H8 125.4 . . ?
C55 N8 H8 125.4 . . ?
C56 N9 C60 118.2(12) . . ?
C56 N9 Pt3 125.0(9) . . ?
C60 N9 Pt3 116.7(9) . . ?
C67 N10 C70 109.7(10) . . ?
C67 N10 H10 125.2 . . ?
C70 N10 H10 125.2 . . ?
C77 N11 C74 110.4(11) . . ?
C77 N11 H11 124.8 . . ?
C74 N11 H11 124.8 . . ?
C78 N12 C82 121.0(12) . . ?
C78 N12 Pt4 123.0(9) . . ?
C82 N12 Pt4 115.8(9) . . ?
C97 N13 C93 112.3(10) . . ?
C97 N13 C101 110.0(11) . . ?
C93 N13 C101 107.4(9) . . ?
C97 N13 C89 108.5(9) . . ?
C93 N13 C89 108.9(10) . . ?
C101 N13 C89 109.8(10) . . ?
C105 N14 C109 112.1(10) . . ?
C105 N14 C113 107.4(8) . . ?
C109 N14 C113 110.4(10) . . ?
C105 N14 C117 109.5(9) . . ?
C109 N14 C117 106.2(9) . . ?
C113 N14 C117 111.2(10) . . ?
C121 N15 C125 112.0(12) . . ?
C121 N15 C133 112.7(13) . . ?
C125 N15 C133 105.7(10) . . ?
C121 N15 C129 106.0(12) . . ?
C125 N15 C129 110.7(12) . . ?
C133 N15 C129 109.7(11) . . ?
C145 N16 C149 109.7(11) . . ?
C145 N16 C141 112.1(11) . . ?
C149 N16 C141 107.0(10) . . ?
C145 N16 C137 108.8(10) . . ?
C149 N16 C137 110.6(11) . . ?
C141 N16 C137 108.6(11) . . ?
C5 O1 Pt1 125.5(7) . . ?
C7 O2 Pt1 123.4(8) . . ?
C27 O3 Pt2 124.4(8) . . ?
C29 O4 Pt2 122.8(8) . . ?
C49 O5 Pt3 122.8(8) . . ?
C51 O6 Pt3 123.5(7) . . ?
C71 O7 Pt4 125.2(8) . . ?
C73 O8 Pt4 124.8(8) . . ?
N1 C1 C2 107.5(13) . . ?
N1 C1 H1A 126.2 . . ?
C2 C1 H1A 126.2 . . ?
C1 C2 C3 107.7(13) . . ?
C1 C2 H2A 126.2 . . ?
C3 C2 H2A 126.2 . . ?
C4 C3 C2 107.9(13) . . ?
C4 C3 H3 126.1 . . ?
C2 C3 H3 126.1 . . ?
C3 C4 N1 108.1(12) . . ?
C3 C4 C5 128.1(13) . . ?
N1 C4 C5 123.7(11) . . ?
O1 C5 C6 126.4(12) . . ?
O1 C5 C4 113.6(10) . . ?
C6 C5 C4 120.0(12) . . ?
C5 C6 C7 126.1(12) . . ?
C5 C6 H6 116.9 . . ?
C7 C6 H6 116.9 . . ?
O2 C7 C6 126.0(11) . . ?
O2 C7 C8 115.4(11) . . ?
C6 C7 C8 118.6(12) . . ?
N2 C8 C9 109.3(10) . . ?
N2 C8 C7 120.8(11) . . ?
C9 C8 C7 129.9(12) . . ?
C8 C9 C10 106.5(11) . . ?
C8 C9 H9 126.7 . . ?
C10 C9 H9 126.7 . . ?
C11 C10 C9 105.8(11) . . ?
C11 C10 H10A 127.1 . . ?
C9 C10 H10A 127.1 . . ?
N2 C11 C10 109.1(12) . . ?
N2 C11 H11A 125.4 . . ?
C10 C11 H11A 125.4 . . ?
N3 C12 C13 122.7(13) . . ?
N3 C12 H12 118.6 . . ?
C13 C12 H12 118.6 . . ?
C12 C13 C14 116.0(15) . . ?
C12 C13 H13 122.0 . . ?
C14 C13 H13 122.0 . . ?
C15 C14 C13 120.0(16) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C14 120.5(14) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 N3 119.4(13) . . ?
C15 C16 C17 128.0(13) . . ?
N3 C16 C17 112.6(13) . . ?
C18 C17 C22 118.4(14) . . ?
C18 C17 C16 126.5(14) . . ?
C22 C17 C16 115.0(12) . . ?
C19 C18 F2 117.1(12) . . ?
C19 C18 C17 123.8(15) . . ?
F2 C18 C17 119.0(15) . . ?
C18 C19 C20 117.3(13) . . ?
C18 C19 H19 121.4 . . ?
C20 C19 H19 121.4 . . ?
C19 C20 F1 118.9(12) . . ?
C19 C20 C21 124.3(13) . . ?
F1 C20 C21 116.8(13) . . ?
C22 C21 C20 116.5(12) . . ?
C22 C21 H21 121.8 . . ?
C20 C21 H21 121.8 . . ?
C21 C22 C17 119.6(11) . . ?
C21 C22 Pt1 126.2(10) . . ?
C17 C22 Pt1 114.1(10) . . ?
N4 C23 C24 109.7(13) . . ?
N4 C23 H23 125.1 . . ?
C24 C23 H23 125.1 . . ?
C23 C24 C25 106.3(12) . . ?
C23 C24 H24 126.8 . . ?
C25 C24 H24 126.8 . . ?
C26 C25 C24 107.6(13) . . ?
C26 C25 H25 126.2 . . ?
C24 C25 H25 126.2 . . ?
N4 C26 C25 109.1(12) . . ?
N4 C26 C27 122.7(10) . . ?
C25 C26 C27 128.0(13) . . ?
O3 C27 C28 125.3(12) . . ?
O3 C27 C26 114.0(10) . . ?
C28 C27 C26 120.7(12) . . ?
C29 C28 C27 128.5(12) . . ?
C29 C28 H28 115.7 . . ?
C27 C28 H28 115.7 . . ?
O4 C29 C28 124.7(11) . . ?
O4 C29 C30 114.1(12) . . ?
C28 C29 C30 121.1(12) . . ?
N5 C30 C31 109.1(10) . . ?
N5 C30 C29 121.9(11) . . ?
C31 C30 C29 129.0(12) . . ?
C30 C31 C32 106.5(11) . . ?
C30 C31 H31 126.8 . . ?
C32 C31 H31 126.8 . . ?
C33 C32 C31 105.5(11) . . ?
C33 C32 H32 127.3 . . ?
C31 C32 H32 127.3 . . ?
N5 C33 C32 109.0(12) . . ?
N5 C33 H33 125.5 . . ?
C32 C33 H33 125.5 . . ?
N6 C34 C35 122.3(12) . . ?
N6 C34 H34 118.8 . . ?
C35 C34 H34 118.8 . . ?
C36 C35 C34 116.6(14) . . ?
C36 C35 H35 121.7 . . ?
C34 C35 H35 121.7 . . ?
C37 C36 C35 120.5(15) . . ?
C37 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C38 C37 C36 121.1(15) . . ?
C38 C37 H37 119.5 . . ?
C36 C37 H37 119.5 . . ?
C37 C38 N6 119.8(14) . . ?
C37 C38 C39 128.3(14) . . ?
N6 C38 C39 111.8(13) . . ?
C40 C39 C44 118.1(14) . . ?
C40 C39 C38 126.5(15) . . ?
C44 C39 C38 115.3(12) . . ?
C41 C40 F4 117.5(13) . . ?
C41 C40 C39 123.8(16) . . ?
F4 C40 C39 118.7(15) . . ?
C40 C41 C42 117.0(13) . . ?
C40 C41 H41 121.5 . . ?
C42 C41 H41 121.5 . . ?
C41 C42 F3 118.3(12) . . ?
C41 C42 C43 124.3(14) . . ?
F3 C42 C43 117.4(14) . . ?
C44 C43 C42 116.3(13) . . ?
C44 C43 H43 121.9 . . ?
C42 C43 H43 121.9 . . ?
C43 C44 C39 120.5(11) . . ?
C43 C44 Pt2 125.8(10) . . ?
C39 C44 Pt2 113.7(10) . . ?
C46 C45 N7 107.9(12) . . ?
C46 C45 H45 126.1 . . ?
N7 C45 H45 126.1 . . ?
C45 C46 C47 107.2(12) . . ?
C45 C46 H46 126.4 . . ?
C47 C46 H46 126.4 . . ?
C48 C47 C46 108.2(12) . . ?
C48 C47 H47 125.9 . . ?
C46 C47 H47 125.9 . . ?
N7 C48 C47 106.4(12) . . ?
N7 C48 C49 123.2(11) . . ?
C47 C48 C49 130.2(12) . . ?
O5 C49 C50 127.4(13) . . ?
O5 C49 C48 111.9(10) . . ?
C50 C49 C48 120.7(12) . . ?
C49 C50 C51 126.3(12) . . ?
C49 C50 H50 116.9 . . ?
C51 C50 H50 116.9 . . ?
O6 C51 C50 126.6(10) . . ?
O6 C51 C52 116.6(11) . . ?
C50 C51 C52 116.9(11) . . ?
N8 C52 C53 108.0(10) . . ?
N8 C52 C51 120.1(11) . . ?
C53 C52 C51 131.8(12) . . ?
C52 C53 C54 106.4(12) . . ?
C52 C53 H53 126.8 . . ?
C54 C53 H53 126.8 . . ?
C55 C54 C53 109.1(13) . . ?
C55 C54 H54 125.5 . . ?
C53 C54 H54 125.5 . . ?
C54 C55 N8 107.3(11) . . ?
C54 C55 H55 126.4 . . ?
N8 C55 H55 126.4 . . ?
N9 C56 C57 124.4(13) . . ?
N9 C56 H56 117.8 . . ?
C57 C56 H56 117.8 . . ?
C58 C57 C56 118.4(13) . . ?
C58 C57 H57 120.8 . . ?
C56 C57 H57 120.8 . . ?
C57 C58 C59 119.2(15) . . ?
C57 C58 H58 120.4 . . ?
C59 C58 H58 120.4 . . ?
C58 C59 C60 119.4(14) . . ?
C58 C59 H59 120.3 . . ?
C60 C59 H59 120.3 . . ?
N9 C60 C59 120.2(13) . . ?
N9 C60 C61 112.3(12) . . ?
C59 C60 C61 127.4(12) . . ?
C62 C61 C60 127.3(14) . . ?
C62 C61 C66 116.8(13) . . ?
C60 C61 C66 115.9(11) . . ?
F6 C62 C61 119.5(14) . . ?
F6 C62 C63 115.9(12) . . ?
C61 C62 C63 124.6(15) . . ?
C64 C63 C62 115.2(12) . . ?
C64 C63 H63 122.4 . . ?
C62 C63 H63 122.4 . . ?
C63 C64 C65 126.6(13) . . ?
C63 C64 F5 115.7(11) . . ?
C65 C64 F5 117.6(13) . . ?
C64 C65 C66 116.4(14) . . ?
C64 C65 H65 121.8 . . ?
C66 C65 H65 121.8 . . ?
C65 C66 C61 120.4(12) . . ?
C65 C66 Pt3 127.7(11) . . ?
C61 C66 Pt3 111.9(9) . . ?
C68 C67 N10 107.9(13) . . ?
C68 C67 H67 126.0 . . ?
N10 C67 H67 126.0 . . ?
C67 C68 C69 108.5(14) . . ?
C67 C68 H68 125.8 . . ?
C69 C68 H68 125.8 . . ?
C70 C69 C68 107.1(14) . . ?
C70 C69 H69 126.4 . . ?
C68 C69 H69 126.4 . . ?
N10 C70 C69 106.8(12) . . ?
N10 C70 C71 125.3(11) . . ?
C69 C70 C71 127.9(13) . . ?
O7 C71 C72 126.6(12) . . ?
O7 C71 C70 113.4(11) . . ?
C72 C71 C70 120.0(12) . . ?
C71 C72 C73 125.4(12) . . ?
C71 C72 H72 117.3 . . ?
C73 C72 H72 117.3 . . ?
O8 C73 C72 125.9(10) . . ?
O8 C73 C74 116.3(10) . . ?
C72 C73 C74 117.7(11) . . ?
N11 C74 C75 106.9(10) . . ?
N11 C74 C73 120.8(11) . . ?
C75 C74 C73 132.3(12) . . ?
C74 C75 C76 107.2(12) . . ?
C74 C75 H75 126.4 . . ?
C76 C75 H75 126.4 . . ?
C77 C76 C75 108.7(12) . . ?
C77 C76 H76 125.7 . . ?
C75 C76 H76 125.7 . . ?
N11 C77 C76 106.8(11) . . ?
N11 C77 H77 126.6 . . ?
C76 C77 H77 126.6 . . ?
N12 C78 C79 120.9(13) . . ?
N12 C78 H78 119.6 . . ?
C79 C78 H78 119.6 . . ?
C78 C79 C80 119.3(13) . . ?
C78 C79 H79 120.3 . . ?
C80 C79 H79 120.3 . . ?
C81 C80 C79 118.6(14) . . ?
C81 C80 H80 120.7 . . ?
C79 C80 H80 120.7 . . ?
C82 C81 C80 121.4(15) . . ?
C82 C81 H81 119.3 . . ?
C80 C81 H81 119.3 . . ?
C81 C82 N12 118.6(14) . . ?
C81 C82 C83 128.2(14) . . ?
N12 C82 C83 113.2(13) . . ?
C84 C83 C88 118.3(14) . . ?
C84 C83 C82 126.6(14) . . ?
C88 C83 C82 115.1(12) . . ?
F8 C84 C85 117.3(14) . . ?
F8 C84 C83 119.3(14) . . ?
C85 C84 C83 123.3(16) . . ?
C86 C85 C84 115.9(14) . . ?
C86 C85 H85 122.0 . . ?
C84 C85 H85 122.0 . . ?
C85 C86 C87 123.2(14) . . ?
C85 C86 F7 116.5(14) . . ?
C87 C86 F7 120.3(14) . . ?
C86 C87 C88 120.7(13) . . ?
C86 C87 H87 119.6 . . ?
C88 C87 H87 119.6 . . ?
C87 C88 C83 118.3(12) . . ?
C87 C88 Pt4 127.5(12) . . ?
C83 C88 Pt4 114.2(10) . . ?
C90 C89 N13 116.3(10) . . ?
C90 C89 H89A 108.2 . . ?
N13 C89 H89A 108.2 . . ?
C90 C89 H89B 108.2 . . ?
N13 C89 H89B 108.2 . . ?
H89A C89 H89B 107.4 . . ?
C91 C90 C89 110.8(11) . . ?
C91 C90 H90A 109.5 . . ?
C89 C90 H90A 109.5 . . ?
C91 C90 H90B 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90A C90 H90B 108.1 . . ?
C90 C91 C92 109.9(13) . . ?
C90 C91 H91A 109.7 . . ?
C92 C91 H91A 109.7 . . ?
C90 C91 H91B 109.7 . . ?
C92 C91 H91B 109.7 . . ?
H91A C91 H91B 108.2 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
N13 C93 C94 115.3(9) . . ?
N13 C93 H93A 108.4 . . ?
C94 C93 H93A 108.4 . . ?
N13 C93 H93B 108.4 . . ?
C94 C93 H93B 108.4 . . ?
H93A C93 H93B 107.5 . . ?
C93 C94 C95 108.2(10) . . ?
C93 C94 H94A 110.1 . . ?
C95 C94 H94A 110.1 . . ?
C93 C94 H94B 110.1 . . ?
C95 C94 H94B 110.1 . . ?
H94A C94 H94B 108.4 . . ?
C96 C95 C94 110.2(12) . . ?
C96 C95 H95A 109.6 . . ?
C94 C95 H95A 109.6 . . ?
C96 C95 H95B 109.6 . . ?
C94 C95 H95B 109.6 . . ?
H95A C95 H95B 108.1 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
N13 C97 C98 116.1(10) . . ?
N13 C97 H97A 108.3 . . ?
C98 C97 H97A 108.3 . . ?
N13 C97 H97B 108.3 . . ?
C98 C97 H97B 108.3 . . ?
H97A C97 H97B 107.4 . . ?
C97 C98 C99 109.4(11) . . ?
C97 C98 H98A 109.8 . . ?
C99 C98 H98A 109.8 . . ?
C97 C98 H98B 109.8 . . ?
C99 C98 H98B 109.8 . . ?
H98A C98 H98B 108.2 . . ?
C98 C99 C100 112.9(11) . . ?
C98 C99 H99A 109.0 . . ?
C100 C99 H99A 109.0 . . ?
C98 C99 H99B 109.0 . . ?
C100 C99 H99B 109.0 . . ?
H99A C99 H99B 107.8 . . ?
C99 C100 H10B 109.5 . . ?
C99 C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C99 C100 H10D 109.5 . . ?
H10B C100 H10D 109.5 . . ?
H10C C100 H10D 109.5 . . ?
C102 C101 N13 116.2(10) . . ?
C102 C101 H10E 108.2 . . ?
N13 C101 H10E 108.2 . . ?
C102 C101 H10F 108.2 . . ?
N13 C101 H10F 108.2 . . ?
H10E C101 H10F 107.4 . . ?
C101 C102 C103 110.6(11) . . ?
C101 C102 H10G 109.5 . . ?
C103 C102 H10G 109.5 . . ?
C101 C102 H10H 109.5 . . ?
C103 C102 H10H 109.5 . . ?
H10G C102 H10H 108.1 . . ?
C104 C103 C102 114.0(14) . . ?
C104 C103 H10I 108.7 . . ?
C102 C103 H10I 108.7 . . ?
C104 C103 H10J 108.7 . . ?
C102 C103 H10J 108.7 . . ?
H10I C103 H10J 107.6 . . ?
C103 C104 H10K 109.5 . . ?
C103 C104 H10L 109.5 . . ?
H10K C104 H10L 109.5 . . ?
C103 C104 H10M 109.5 . . ?
H10K C104 H10M 109.5 . . ?
H10L C104 H10M 109.5 . . ?
N14 C105 C106 115.3(9) . . ?
N14 C105 H10N 108.4 . . ?
C106 C105 H10N 108.4 . . ?
N14 C105 H10O 108.4 . . ?
C106 C105 H10O 108.4 . . ?
H10N C105 H10O 107.5 . . ?
C105 C106 C107 108.9(10) . . ?
C105 C106 H10P 109.9 . . ?
C107 C106 H10P 109.9 . . ?
C105 C106 H10Q 109.9 . . ?
C107 C106 H10Q 109.9 . . ?
H10P C106 H10Q 108.3 . . ?
C108 C107 C106 112.2(11) . . ?
C108 C107 H10R 109.2 . . ?
C106 C107 H10R 109.2 . . ?
C108 C107 H10S 109.2 . . ?
C106 C107 H10S 109.2 . . ?
H10R C107 H10S 107.9 . . ?
C107 C108 H10T 109.5 . . ?
C107 C108 H10U 109.5 . . ?
H10T C108 H10U 109.5 . . ?
C107 C108 H10V 109.5 . . ?
H10T C108 H10V 109.5 . . ?
H10U C108 H10V 109.5 . . ?
N14 C109 C110 114.7(10) . . ?
N14 C109 H10W 108.6 . . ?
C110 C109 H10W 108.6 . . ?
N14 C109 H10X 108.6 . . ?
C110 C109 H10X 108.6 . . ?
H10W C109 H10X 107.6 . . ?
C109 C110 C111 110.7(11) . . ?
C109 C110 H11B 109.5 . . ?
C111 C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
C111 C110 H11C 109.5 . . ?
H11B C110 H11C 108.1 . . ?
C112 C111 C110 113.6(14) . . ?
C112 C111 H11D 108.8 . . ?
C110 C111 H11D 108.8 . . ?
C112 C111 H11E 108.8 . . ?
C110 C111 H11E 108.8 . . ?
H11D C111 H11E 107.7 . . ?
C111 C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
C111 C112 H11H 109.5 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
N14 C113 C114 115.0(9) . . ?
N14 C113 H11I 108.5 . . ?
C114 C113 H11I 108.5 . . ?
N14 C113 H11J 108.5 . . ?
C114 C113 H11J 108.5 . . ?
H11I C113 H11J 107.5 . . ?
C115 C114 C113 113.1(11) . . ?
C115 C114 H11K 109.0 . . ?
C113 C114 H11K 109.0 . . ?
C115 C114 H11L 109.0 . . ?
C113 C114 H11L 109.0 . . ?
H11K C114 H11L 107.8 . . ?
C114 C115 C116 112.3(13) . . ?
C114 C115 H11M 109.1 . . ?
C116 C115 H11M 109.1 . . ?
C114 C115 H11N 109.1 . . ?
C116 C115 H11N 109.1 . . ?
H11M C115 H11N 107.9 . . ?
C115 C116 H11O 109.5 . . ?
C115 C116 H11P 109.5 . . ?
H11O C116 H11P 109.5 . . ?
C115 C116 H11Q 109.5 . . ?
H11O C116 H11Q 109.5 . . ?
H11P C116 H11Q 109.5 . . ?
N14 C117 C118 116.1(10) . . ?
N14 C117 H11R 108.3 . . ?
C118 C117 H11R 108.3 . . ?
N14 C117 H11S 108.3 . . ?
C118 C117 H11S 108.3 . . ?
H11R C117 H11S 107.4 . . ?
C119 C118 C117 109.2(10) . . ?
C119 C118 H11T 109.8 . . ?
C117 C118 H11T 109.8 . . ?
C119 C118 H11U 109.8 . . ?
C117 C118 H11U 109.8 . . ?
H11T C118 H11U 108.3 . . ?
C118 C119 C120 112.0(10) . . ?
C118 C119 H11V 109.2 . . ?
C120 C119 H11V 109.2 . . ?
C118 C119 H11W 109.2 . . ?
C120 C119 H11W 109.2 . . ?
H11V C119 H11W 107.9 . . ?
C119 C120 H12A 109.5 . . ?
C119 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C119 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C122 C121 N15 122.1(15) . . ?
C122 C121 H12D 106.8 . . ?
N15 C121 H12D 106.8 . . ?
C122 C121 H12E 106.8 . . ?
N15 C121 H12E 106.8 . . ?
H12D C121 H12E 106.6 . . ?
C123 C122 C121 113(2) . . ?
C123 C122 H12F 109.0 . . ?
C121 C122 H12F 109.0 . . ?
C123 C122 H12G 109.0 . . ?
C121 C122 H12G 109.0 . . ?
H12F C122 H12G 107.8 . . ?
C122 C123 C124 111.0(19) . . ?
C122 C123 H12H 109.4 . . ?
C124 C123 H12H 109.4 . . ?
C122 C123 H12I 109.4 . . ?
C124 C123 H12I 109.4 . . ?
H12H C123 H12I 108.0 . . ?
C123 C124 H12J 109.5 . . ?
C123 C124 H12K 109.5 . . ?
H12J C124 H12K 109.5 . . ?
C123 C124 H12L 109.5 . . ?
H12J C124 H12L 109.5 . . ?
H12K C124 H12L 109.5 . . ?
N15 C125 C126 114.8(11) . . ?
N15 C125 H12M 108.6 . . ?
C126 C125 H12M 108.6 . . ?
N15 C125 H12N 108.6 . . ?
C126 C125 H12N 108.6 . . ?
H12M C125 H12N 107.5 . . ?
C127 C126 C125 111.0(11) . . ?
C127 C126 H12O 109.4 . . ?
C125 C126 H12O 109.4 . . ?
C127 C126 H12P 109.4 . . ?
C125 C126 H12P 109.4 . . ?
H12O C126 H12P 108.0 . . ?
C128 C127 C126 113.6(15) . . ?
C128 C127 H12Q 108.9 . . ?
C126 C127 H12Q 108.9 . . ?
C128 C127 H12R 108.9 . . ?
C126 C127 H12R 108.9 . . ?
H12Q C127 H12R 107.7 . . ?
C127 C128 H12S 109.5 . . ?
C127 C128 H12T 109.5 . . ?
H12S C128 H12T 109.5 . . ?
C127 C128 H12U 109.5 . . ?
H12S C128 H12U 109.5 . . ?
H12T C128 H12U 109.5 . . ?
C130 C129 N15 116.0(10) . . ?
C130 C129 H12V 108.3 . . ?
N15 C129 H12V 108.3 . . ?
C130 C129 H12W 108.3 . . ?
N15 C129 H12W 108.3 . . ?
H12V C129 H12W 107.4 . . ?
C129 C130 C131 107.7(12) . . ?
C129 C130 H13A 110.2 . . ?
C131 C130 H13A 110.2 . . ?
C129 C130 H13B 110.2 . . ?
C131 C130 H13B 110.2 . . ?
H13A C130 H13B 108.5 . . ?
C132 C131 C130 112.7(13) . . ?
C132 C131 H13C 109.0 . . ?
C130 C131 H13C 109.0 . . ?
C132 C131 H13D 109.0 . . ?
C130 C131 H13D 109.0 . . ?
H13C C131 H13D 107.8 . . ?
C131 C132 H13E 109.5 . . ?
C131 C132 H13F 109.5 . . ?
H13E C132 H13F 109.5 . . ?
C131 C132 H13G 109.5 . . ?
H13E C132 H13G 109.5 . . ?
H13F C132 H13G 109.5 . . ?
C134 C133 N15 116.9(11) . . ?
C134 C133 H13H 108.1 . . ?
N15 C133 H13H 108.1 . . ?
C134 C133 H13I 108.1 . . ?
N15 C133 H13I 108.1 . . ?
H13H C133 H13I 107.3 . . ?
C133 C134 C135 109.3(11) . . ?
C133 C134 H13J 109.8 . . ?
C135 C134 H13J 109.8 . . ?
C133 C134 H13K 109.8 . . ?
C135 C134 H13K 109.8 . . ?
H13J C134 H13K 108.3 . . ?
C134 C135 C136 112.8(11) . . ?
C134 C135 H13L 109.0 . . ?
C136 C135 H13L 109.0 . . ?
C134 C135 H13M 109.0 . . ?
C136 C135 H13M 109.0 . . ?
H13L C135 H13M 107.8 . . ?
C135 C136 H13N 109.5 . . ?
C135 C136 H13O 109.5 . . ?
H13N C136 H13O 109.5 . . ?
C135 C136 H13P 109.5 . . ?
H13N C136 H13P 109.5 . . ?
H13O C136 H13P 109.5 . . ?
C138 C137 N16 115.4(11) . . ?
C138 C137 H13Q 108.4 . . ?
N16 C137 H13Q 108.4 . . ?
C138 C137 H13R 108.4 . . ?
N16 C137 H13R 108.4 . . ?
H13Q C137 H13R 107.5 . . ?
C137 C138 C139 113.0(12) . . ?
C137 C138 H13S 109.0 . . ?
C139 C138 H13S 109.0 . . ?
C137 C138 H13T 109.0 . . ?
C139 C138 H13T 109.0 . . ?
H13S C138 H13T 107.8 . . ?
C138 C139 C140 108.0(12) . . ?
C138 C139 H13U 110.1 . . ?
C140 C139 H13U 110.1 . . ?
C138 C139 H13V 110.1 . . ?
C140 C139 H13V 110.1 . . ?
H13U C139 H13V 108.4 . . ?
C139 C140 H14A 109.5 . . ?
C139 C140 H14B 109.5 . . ?
H14A C140 H14B 109.5 . . ?
C139 C140 H14C 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
N16 C141 C142 115.5(10) . . ?
N16 C141 H14D 108.4 . . ?
C142 C141 H14D 108.4 . . ?
N16 C141 H14E 108.4 . . ?
C142 C141 H14E 108.4 . . ?
H14D C141 H14E 107.5 . . ?
C141 C142 C143 108.9(10) . . ?
C141 C142 H14F 109.9 . . ?
C143 C142 H14F 109.9 . . ?
C141 C142 H14G 109.9 . . ?
C143 C142 H14G 109.9 . . ?
H14F C142 H14G 108.3 . . ?
C144 C143 C142 110.5(11) . . ?
C144 C143 H14H 109.5 . . ?
C142 C143 H14H 109.5 . . ?
C144 C143 H14I 109.5 . . ?
C142 C143 H14I 109.5 . . ?
H14H C143 H14I 108.1 . . ?
C143 C144 H14J 109.5 . . ?
C143 C144 H14K 109.5 . . ?
H14J C144 H14K 109.5 . . ?
C143 C144 H14L 109.5 . . ?
H14J C144 H14L 109.5 . . ?
H14K C144 H14L 109.5 . . ?
C146 C145 N16 115.3(11) . . ?
C146 C145 H14M 108.5 . . ?
N16 C145 H14M 108.5 . . ?
C146 C145 H14N 108.5 . . ?
N16 C145 H14N 108.5 . . ?
H14M C145 H14N 107.5 . . ?
C145 C146 C147 110.1(12) . . ?
C145 C146 H14O 109.6 . . ?
C147 C146 H14O 109.6 . . ?
C145 C146 H14P 109.6 . . ?
C147 C146 H14P 109.6 . . ?
H14O C146 H14P 108.2 . . ?
C146 C147 C148 113.2(13) . . ?
C146 C147 H14Q 108.9 . . ?
C148 C147 H14Q 108.9 . . ?
C146 C147 H14R 108.9 . . ?
C148 C147 H14R 108.9 . . ?
H14Q C147 H14R 107.8 . . ?
C147 C148 H14S 109.5 . . ?
C147 C148 H14T 109.5 . . ?
H14S C148 H14T 109.5 . . ?
C147 C148 H14U 109.5 . . ?
H14S C148 H14U 109.5 . . ?
H14T C148 H14U 109.5 . . ?
C150 C149 N16 116.6(11) . . ?
C150 C149 H14V 108.1 . . ?
N16 C149 H14V 108.1 . . ?
C150 C149 H14W 108.1 . . ?
N16 C149 H14W 108.1 . . ?
H14V C149 H14W 107.3 . . ?
C149 C150 C151 111.0(12) . . ?
C149 C150 H15A 109.4 . . ?
C151 C150 H15A 109.4 . . ?
C149 C150 H15B 109.4 . . ?
C151 C150 H15B 109.4 . . ?
H15A C150 H15B 108.0 . . ?
C152 C151 C150 112.5(16) . . ?
C152 C151 H15C 109.1 . . ?
C150 C151 H15C 109.1 . . ?
C152 C151 H15D 109.1 . . ?
C150 C151 H15D 109.1 . . ?
H15C C151 H15D 107.8 . . ?
C151 C152 H15E 109.5 . . ?
C151 C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C151 C152 H15G 109.5 . . ?
H15E C152 H15G 109.5 . . ?
H15F C152 H15G 109.5 . . ?
C154 C153 Cl5 107.7(11) . . ?
C154 C153 H15H 110.2 . . ?
Cl5 C153 H15H 110.2 . . ?
C154 C153 H15I 110.2 . . ?
Cl5 C153 H15I 110.2 . . ?
H15H C153 H15I 108.5 . . ?
C153 C154 Cl6 110.3(11) . . ?
C153 C154 H15J 109.6 . . ?
Cl6 C154 H15J 109.6 . . ?
C153 C154 H15K 109.6 . . ?
Cl6 C154 H15K 109.6 . . ?
H15J C154 H15K 108.1 . . ?
Cl7 C155 C156 113.9(15) . . ?
Cl7 C155 H15L 108.8 . . ?
C156 C155 H15L 108.8 . . ?
Cl7 C155 H15M 108.8 . . ?
C156 C155 H15M 108.8 . . ?
H15L C155 H15M 107.7 . . ?
Cl8 C156 C155 105.1(14) . . ?
Cl8 C156 H15N 110.7 . . ?
C155 C156 H15N 110.7 . . ?
Cl8 C156 H15O 110.7 . . ?
C155 C156 H15O 110.7 . . ?
H15N C156 H15O 108.8 . . ?
C158 C157 Cl9 106.5(12) . . ?
C158 C157 H15P 110.4 . . ?
Cl9 C157 H15P 110.4 . . ?
C158 C157 H15Q 110.4 . . ?
Cl9 C157 H15Q 110.4 . . ?
H15P C157 H15Q 108.6 . . ?
C157 C158 Cl10 109.6(12) . . ?
C157 C158 H15R 109.8 . . ?
Cl10 C158 H15R 109.8 . . ?
C157 C158 H15S 109.8 . . ?
Cl10 C158 H15S 109.8 . . ?
H15R C158 H15S 108.2 . . ?
C160 C159 Cl11 111.9(11) . . ?
C160 C159 H15T 109.2 . . ?
Cl11 C159 H15T 109.2 . . ?
C160 C159 H15U 109.2 . . ?
Cl11 C159 H15U 109.2 . . ?
H15T C159 H15U 107.9 . . ?
C159 C160 Cl12 111.2(11) . . ?
C159 C160 H16A 109.4 . . ?
Cl12 C160 H16A 109.4 . . ?
C159 C160 H16B 109.4 . . ?
Cl12 C160 H16B 109.4 . . ?
H16A C160 H16B 108.0 . . ?
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 C22 1.965(12) . ?
Pt1 O1 1.993(9) . ?
Pt1 N3 2.011(11) . ?
Pt1 O2 2.087(8) . ?
Pt2 C44 1.973(11) . ?
Pt2 N6 1.984(12) . ?
Pt2 O3 2.004(8) . ?
Pt2 O4 2.091(8) . ?
Pt3 N9 1.944(12) . ?
Pt3 C66 1.963(12) . ?
Pt3 O5 2.047(8) . ?
Pt3 O6 2.083(8) . ?
Pt4 O7 1.965(10) . ?
Pt4 C88 1.970(13) . ?
Pt4 N12 1.994(11) . ?
Pt4 O8 2.072(8) . ?
F1 C20 1.377(16) . ?
F2 C18 1.374(18) . ?
F3 C42 1.396(17) . ?
F4 C40 1.380(19) . ?
F5 C64 1.372(15) . ?
F6 C62 1.375(18) . ?
F7 C86 1.377(16) . ?
F8 C84 1.35(2) . ?
N1 C1 1.374(17) . ?
N1 C4 1.375(17) . ?
N1 H1 0.8800 . ?
N2 C11 1.358(16) . ?
N2 C8 1.358(16) . ?
N2 H2 0.8800 . ?
N3 C12 1.324(16) . ?
N3 C16 1.367(16) . ?
N4 C23 1.366(17) . ?
N4 C26 1.366(17) . ?
N4 H4 0.8800 . ?
N5 C33 1.349(16) . ?
N5 C30 1.354(16) . ?
N5 H5 0.8800 . ?
N6 C34 1.341(17) . ?
N6 C38 1.385(16) . ?
N7 C48 1.352(17) . ?
N7 C45 1.377(16) . ?
N7 H7 0.8800 . ?
N8 C52 1.366(15) . ?
N8 C55 1.370(15) . ?
N8 H8 0.8800 . ?
N9 C56 1.341(17) . ?
N9 C60 1.389(16) . ?
N10 C67 1.365(16) . ?
N10 C70 1.380(16) . ?
N10 H10 0.8800 . ?
N11 C77 1.357(15) . ?
N11 C74 1.367(16) . ?
N11 H11 0.8800 . ?
N12 C78 1.344(16) . ?
N12 C82 1.372(17) . ?
N13 C97 1.499(16) . ?
N13 C93 1.517(17) . ?
N13 C101 1.532(15) . ?
N13 C89 1.555(15) . ?
N14 C105 1.522(14) . ?
N14 C109 1.522(16) . ?
N14 C113 1.527(15) . ?
N14 C117 1.528(15) . ?
N15 C121 1.497(16) . ?
N15 C125 1.504(18) . ?
N15 C133 1.528(18) . ?
N15 C129 1.549(18) . ?
N16 C145 1.503(17) . ?
N16 C149 1.523(17) . ?
N16 C141 1.526(18) . ?
N16 C137 1.562(17) . ?
O1 C5 1.296(15) . ?
O2 C7 1.301(15) . ?
O3 C27 1.293(15) . ?
O4 C29 1.312(16) . ?
O5 C49 1.278(15) . ?
O6 C51 1.249(15) . ?
O7 C71 1.308(16) . ?
O8 C73 1.256(15) . ?
C1 C2 1.39(2) . ?
C1 H1A 0.9500 . ?
C2 C3 1.39(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.374(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.455(18) . ?
C5 C6 1.410(15) . ?
C6 C7 1.413(17) . ?
C6 H6 0.9500 . ?
C7 C8 1.453(17) . ?
C8 C9 1.380(17) . ?
C9 C10 1.442(16) . ?
C9 H9 0.9500 . ?
C10 C11 1.39(2) . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C12 C13 1.39(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.42(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.38(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.36(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.46(2) . ?
C17 C18 1.392(18) . ?
C17 C22 1.43(2) . ?
C18 C19 1.34(2) . ?
C19 C20 1.38(2) . ?
C19 H19 0.9500 . ?
C20 C21 1.416(18) . ?
C21 C22 1.404(18) . ?
C21 H21 0.9500 . ?
C23 C24 1.379(19) . ?
C23 H23 0.9500 . ?
C24 C25 1.40(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.376(17) . ?
C25 H25 0.9500 . ?
C26 C27 1.472(18) . ?
C27 C28 1.413(16) . ?
C28 C29 1.394(18) . ?
C28 H28 0.9500 . ?
C29 C30 1.448(17) . ?
C30 C31 1.385(16) . ?
C31 C32 1.444(16) . ?
C31 H31 0.9500 . ?
C32 C33 1.40(2) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C35 1.395(19) . ?
C34 H34 0.9500 . ?
C35 C36 1.39(2) . ?
C35 H35 0.9500 . ?
C36 C37 1.36(2) . ?
C36 H36 0.9500 . ?
C37 C38 1.35(2) . ?
C37 H37 0.9500 . ?
C38 C39 1.48(2) . ?
C39 C40 1.383(19) . ?
C39 C44 1.42(2) . ?
C40 C41 1.35(2) . ?
C41 C42 1.38(2) . ?
C41 H41 0.9500 . ?
C42 C43 1.406(18) . ?
C43 C44 1.398(18) . ?
C43 H43 0.9500 . ?
C45 C46 1.356(18) . ?
C45 H45 0.9500 . ?
C46 C47 1.405(19) . ?
C46 H46 0.9500 . ?
C47 C48 1.389(17) . ?
C47 H47 0.9500 . ?
C48 C49 1.464(19) . ?
C49 C50 1.387(16) . ?
C50 C51 1.428(17) . ?
C50 H50 0.9500 . ?
C51 C52 1.477(15) . ?
C52 C53 1.389(18) . ?
C53 C54 1.392(18) . ?
C53 H53 0.9500 . ?
C54 C55 1.37(2) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 C57 1.393(19) . ?
C56 H56 0.9500 . ?
C57 C58 1.387(19) . ?
C57 H57 0.9500 . ?
C58 C59 1.41(2) . ?
C58 H58 0.9500 . ?
C59 C60 1.42(2) . ?
C59 H59 0.9500 . ?
C60 C61 1.437(19) . ?
C61 C62 1.378(19) . ?
C61 C66 1.44(2) . ?
C62 C63 1.41(2) . ?
C63 C64 1.366(19) . ?
C63 H63 0.9500 . ?
C64 C65 1.371(17) . ?
C65 C66 1.433(18) . ?
C65 H65 0.9500 . ?
C67 C68 1.35(2) . ?
C67 H67 0.9500 . ?
C68 C69 1.41(2) . ?
C68 H68 0.9500 . ?
C69 C70 1.383(18) . ?
C69 H69 0.9500 . ?
C70 C71 1.472(17) . ?
C71 C72 1.393(16) . ?
C72 C73 1.400(17) . ?
C72 H72 0.9500 . ?
C73 C74 1.476(15) . ?
C74 C75 1.377(18) . ?
C75 C76 1.391(19) . ?
C75 H75 0.9500 . ?
C76 C77 1.367(19) . ?
C76 H76 0.9500 . ?
C77 H77 0.9500 . ?
C78 C79 1.372(19) . ?
C78 H78 0.9500 . ?
C79 C80 1.388(19) . ?
C79 H79 0.9500 . ?
C80 C81 1.38(2) . ?
C80 H80 0.9500 . ?
C81 C82 1.37(2) . ?
C81 H81 0.9500 . ?
C82 C83 1.46(2) . ?
C83 C84 1.404(19) . ?
C83 C88 1.41(2) . ?
C84 C85 1.38(2) . ?
C85 C86 1.37(2) . ?
C85 H85 0.9500 . ?
C86 C87 1.375(19) . ?
C87 C88 1.376(19) . ?
C87 H87 0.9500 . ?
C89 C90 1.528(19) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 C91 1.508(18) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 C92 1.55(2) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C94 1.535(17) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.58(2) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.50(2) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.505(17) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 C99 1.522(18) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 C100 1.53(2) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C100 H10D 0.9800 . ?
C101 C102 1.522(19) . ?
C101 H10E 0.9900 . ?
C101 H10F 0.9900 . ?
C102 C103 1.525(18) . ?
C102 H10G 0.9900 . ?
C102 H10H 0.9900 . ?
C103 C104 1.50(2) . ?
C103 H10I 0.9900 . ?
C103 H10J 0.9900 . ?
C104 H10K 0.9800 . ?
C104 H10L 0.9800 . ?
C104 H10M 0.9800 . ?
C105 C106 1.529(16) . ?
C105 H10N 0.9900 . ?
C105 H10O 0.9900 . ?
C106 C107 1.540(15) . ?
C106 H10P 0.9900 . ?
C106 H10Q 0.9900 . ?
C107 C108 1.502(17) . ?
C107 H10R 0.9900 . ?
C107 H10S 0.9900 . ?
C108 H10T 0.9800 . ?
C108 H10U 0.9800 . ?
C108 H10V 0.9800 . ?
C109 C110 1.528(19) . ?
C109 H10W 0.9900 . ?
C109 H10X 0.9900 . ?
C110 C111 1.54(2) . ?
C110 H11B 0.9900 . ?
C110 H11C 0.9900 . ?
C111 C112 1.53(2) . ?
C111 H11D 0.9900 . ?
C111 H11E 0.9900 . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C113 C114 1.556(17) . ?
C113 H11I 0.9900 . ?
C113 H11J 0.9900 . ?
C114 C115 1.511(18) . ?
C114 H11K 0.9900 . ?
C114 H11L 0.9900 . ?
C115 C116 1.54(2) . ?
C115 H11M 0.9900 . ?
C115 H11N 0.9900 . ?
C116 H11O 0.9800 . ?
C116 H11P 0.9800 . ?
C116 H11Q 0.9800 . ?
C117 C118 1.529(18) . ?
C117 H11R 0.9900 . ?
C117 H11S 0.9900 . ?
C118 C119 1.508(18) . ?
C118 H11T 0.9900 . ?
C118 H11U 0.9900 . ?
C119 C120 1.537(18) . ?
C119 H11V 0.9900 . ?
C119 H11W 0.9900 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 C122 1.45(3) . ?
C121 H12D 0.9900 . ?
C121 H12E 0.9900 . ?
C122 C123 1.37(3) . ?
C122 H12F 0.9900 . ?
C122 H12G 0.9900 . ?
C123 C124 1.54(3) . ?
C123 H12H 0.9900 . ?
C123 H12I 0.9900 . ?
C124 H12J 0.9800 . ?
C124 H12K 0.9800 . ?
C124 H12L 0.9800 . ?
C125 C126 1.56(2) . ?
C125 H12M 0.9900 . ?
C125 H12N 0.9900 . ?
C126 C127 1.54(2) . ?
C126 H12O 0.9900 . ?
C126 H12P 0.9900 . ?
C127 C128 1.51(2) . ?
C127 H12Q 0.9900 . ?
C127 H12R 0.9900 . ?
C128 H12S 0.9800 . ?
C128 H12T 0.9800 . ?
C128 H12U 0.9800 . ?
C129 C130 1.50(2) . ?
C129 H12V 0.9900 . ?
C129 H12W 0.9900 . ?
C130 C131 1.553(17) . ?
C130 H13A 0.9900 . ?
C130 H13B 0.9900 . ?
C131 C132 1.52(2) . ?
C131 H13C 0.9900 . ?
C131 H13D 0.9900 . ?
C132 H13E 0.9800 . ?
C132 H13F 0.9800 . ?
C132 H13G 0.9800 . ?
C133 C134 1.52(2) . ?
C133 H13H 0.9900 . ?
C133 H13I 0.9900 . ?
C134 C135 1.52(2) . ?
C134 H13J 0.9900 . ?
C134 H13K 0.9900 . ?
C135 C136 1.54(2) . ?
C135 H13L 0.9900 . ?
C135 H13M 0.9900 . ?
C136 H13N 0.9800 . ?
C136 H13O 0.9800 . ?
C136 H13P 0.9800 . ?
C137 C138 1.49(2) . ?
C137 H13Q 0.9900 . ?
C137 H13R 0.9900 . ?
C138 C139 1.499(19) . ?
C138 H13S 0.9900 . ?
C138 H13T 0.9900 . ?
C139 C140 1.517(19) . ?
C139 H13U 0.9900 . ?
C139 H13V 0.9900 . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C141 C142 1.532(19) . ?
C141 H14D 0.9900 . ?
C141 H14E 0.9900 . ?
C142 C143 1.540(19) . ?
C142 H14F 0.9900 . ?
C142 H14G 0.9900 . ?
C143 C144 1.51(2) . ?
C143 H14H 0.9900 . ?
C143 H14I 0.9900 . ?
C144 H14J 0.9800 . ?
C144 H14K 0.9800 . ?
C144 H14L 0.9800 . ?
C145 C146 1.499(19) . ?
C145 H14M 0.9900 . ?
C145 H14N 0.9900 . ?
C146 C147 1.520(19) . ?
C146 H14O 0.9900 . ?
C146 H14P 0.9900 . ?
C147 C148 1.52(2) . ?
C147 H14Q 0.9900 . ?
C147 H14R 0.9900 . ?
C148 H14S 0.9800 . ?
C148 H14T 0.9800 . ?
C148 H14U 0.9800 . ?
C149 C150 1.52(2) . ?
C149 H14V 0.9900 . ?
C149 H14W 0.9900 . ?
C150 C151 1.54(2) . ?
C150 H15A 0.9900 . ?
C150 H15B 0.9900 . ?
C151 C152 1.48(3) . ?
C151 H15C 0.9900 . ?
C151 H15D 0.9900 . ?
C152 H15E 0.9800 . ?
C152 H15F 0.9800 . ?
C152 H15G 0.9800 . ?
Cl5 C153 1.739(17) . ?
Cl6 C154 1.788(15) . ?
C153 C154 1.55(2) . ?
C153 H15H 0.9900 . ?
C153 H15I 0.9900 . ?
C154 H15J 0.9900 . ?
C154 H15K 0.9900 . ?
Cl7 C155 1.67(3) . ?
Cl8 C156 1.67(3) . ?
C155 C156 1.74(4) . ?
C155 H15L 0.9900 . ?
C155 H15M 0.9900 . ?
C156 H15N 0.9900 . ?
C156 H15O 0.9900 . ?
Cl9 C157 1.781(19) . ?
Cl10 C158 1.75(2) . ?
C157 C158 1.55(2) . ?
C157 H15P 0.9900 . ?
C157 H15Q 0.9900 . ?
C158 H15R 0.9900 . ?
C158 H15S 0.9900 . ?
Cl11 C159 1.766(14) . ?
Cl12 C160 1.752(15) . ?
C159 C160 1.50(2) . ?
C159 H15T 0.9900 . ?
C159 H15U 0.9900 . ?
C160 H16A 0.9900 . ?
C160 H16B 0.9900 . ?
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
C4 N1 C1 C2 -0.8(14) . . . . ?
N1 C1 C2 C3 -0.6(16) . . . . ?
C1 C2 C3 C4 1.8(18) . . . . ?
C2 C3 C4 N1 -2.2(16) . . . . ?
C2 C3 C4 C5 -178.0(13) . . . . ?
C1 N1 C4 C3 1.9(14) . . . . ?
C1 N1 C4 C5 177.9(11) . . . . ?
Pt1 O1 C5 C6 -9.7(17) . . . . ?
Pt1 O1 C5 C4 172.3(8) . . . . ?
C3 C4 C5 O1 -6.0(19) . . . . ?
N1 C4 C5 O1 178.8(11) . . . . ?
C3 C4 C5 C6 175.8(13) . . . . ?
N1 C4 C5 C6 0.7(18) . . . . ?
O1 C5 C6 C7 2.8(19) . . . . ?
C4 C5 C6 C7 -179.3(11) . . . . ?
Pt1 O2 C7 C6 -1.1(15) . . . . ?
Pt1 O2 C7 C8 179.5(7) . . . . ?
C5 C6 C7 O2 3.1(18) . . . . ?
C5 C6 C7 C8 -177.5(11) . . . . ?
C11 N2 C8 C9 2.2(14) . . . . ?
C11 N2 C8 C7 179.9(11) . . . . ?
O2 C7 C8 N2 5.5(16) . . . . ?
C6 C7 C8 N2 -174.0(10) . . . . ?
O2 C7 C8 C9 -177.4(12) . . . . ?
C6 C7 C8 C9 3.1(19) . . . . ?
N2 C8 C9 C10 -1.5(14) . . . . ?
C7 C8 C9 C10 -178.9(12) . . . . ?
C8 C9 C10 C11 0.3(14) . . . . ?
C8 N2 C11 C10 -2.0(14) . . . . ?
C9 C10 C11 N2 1.0(15) . . . . ?
C16 N3 C12 C13 -1.0(19) . . . . ?
Pt1 N3 C12 C13 -177.7(10) . . . . ?
N3 C12 C13 C14 1(2) . . . . ?
C12 C13 C14 C15 -2(2) . . . . ?
C13 C14 C15 C16 4(2) . . . . ?
C14 C15 C16 N3 -4(2) . . . . ?
C14 C15 C16 C17 177.2(14) . . . . ?
C12 N3 C16 C15 2.9(18) . . . . ?
Pt1 N3 C16 C15 179.9(10) . . . . ?
C12 N3 C16 C17 -178.5(11) . . . . ?
Pt1 N3 C16 C17 -1.6(14) . . . . ?
C15 C16 C17 C18 1(2) . . . . ?
N3 C16 C17 C18 -177.5(13) . . . . ?
C15 C16 C17 C22 -176.9(13) . . . . ?
N3 C16 C17 C22 4.7(17) . . . . ?
C22 C17 C18 C19 1(2) . . . . ?
C16 C17 C18 C19 -176.8(14) . . . . ?
C22 C17 C18 F2 -179.6(13) . . . . ?
C16 C17 C18 F2 3(2) . . . . ?
F2 C18 C19 C20 178.8(13) . . . . ?
C17 C18 C19 C20 -2(2) . . . . ?
C18 C19 C20 F1 -178.2(13) . . . . ?
C18 C19 C20 C21 3(2) . . . . ?
C19 C20 C21 C22 -3(2) . . . . ?
F1 C20 C21 C22 177.8(12) . . . . ?
C20 C21 C22 C17 2.3(19) . . . . ?
C20 C21 C22 Pt1 -174.9(10) . . . . ?
C18 C17 C22 C21 -1(2) . . . . ?
C16 C17 C22 C21 176.8(12) . . . . ?
C18 C17 C22 Pt1 176.3(11) . . . . ?
C16 C17 C22 Pt1 -5.7(16) . . . . ?
C26 N4 C23 C24 -0.6(14) . . . . ?
N4 C23 C24 C25 0.1(16) . . . . ?
C23 C24 C25 C26 0.5(17) . . . . ?
C23 N4 C26 C25 0.9(14) . . . . ?
C23 N4 C26 C27 175.8(11) . . . . ?
C24 C25 C26 N4 -0.9(16) . . . . ?
C24 C25 C26 C27 -175.4(13) . . . . ?
Pt2 O3 C27 C28 -13.8(17) . . . . ?
Pt2 O3 C27 C26 165.6(8) . . . . ?
N4 C26 C27 O3 -177.5(11) . . . . ?
C25 C26 C27 O3 -4(2) . . . . ?
N4 C26 C27 C28 1.9(19) . . . . ?
C25 C26 C27 C28 175.8(12) . . . . ?
O3 C27 C28 C29 1(2) . . . . ?
C26 C27 C28 C29 -178.5(12) . . . . ?
Pt2 O4 C29 C28 1.4(17) . . . . ?
Pt2 O4 C29 C30 178.6(7) . . . . ?
C27 C28 C29 O4 6(2) . . . . ?
C27 C28 C29 C30 -171.2(11) . . . . ?
C33 N5 C30 C31 3.3(14) . . . . ?
C33 N5 C30 C29 -178.8(11) . . . . ?
O4 C29 C30 N5 7.5(16) . . . . ?
C28 C29 C30 N5 -175.1(11) . . . . ?
O4 C29 C30 C31 -175.1(11) . . . . ?
C28 C29 C30 C31 2.3(19) . . . . ?
N5 C30 C31 C32 -2.4(14) . . . . ?
C29 C30 C31 C32 180.0(12) . . . . ?
C30 C31 C32 C33 0.6(14) . . . . ?
C30 N5 C33 C32 -2.9(15) . . . . ?
C31 C32 C33 N5 1.4(15) . . . . ?
C38 N6 C34 C35 1.4(19) . . . . ?
Pt2 N6 C34 C35 -175.8(10) . . . . ?
N6 C34 C35 C36 0(2) . . . . ?
C34 C35 C36 C37 -3(2) . . . . ?
C35 C36 C37 C38 6(2) . . . . ?
C36 C37 C38 N6 -5(2) . . . . ?
C36 C37 C38 C39 178.0(15) . . . . ?
C34 N6 C38 C37 1.4(19) . . . . ?
Pt2 N6 C38 C37 178.8(11) . . . . ?
C34 N6 C38 C39 178.7(11) . . . . ?
Pt2 N6 C38 C39 -3.9(14) . . . . ?
C37 C38 C39 C40 -3(3) . . . . ?
N6 C38 C39 C40 -179.8(15) . . . . ?
C37 C38 C39 C44 -179.1(14) . . . . ?
N6 C38 C39 C44 3.9(17) . . . . ?
C44 C39 C40 C41 -3(3) . . . . ?
C38 C39 C40 C41 -179.2(16) . . . . ?
C44 C39 C40 F4 179.2(14) . . . . ?
C38 C39 C40 F4 3(3) . . . . ?
F4 C40 C41 C42 179.0(15) . . . . ?
C39 C40 C41 C42 1(3) . . . . ?
C40 C41 C42 F3 -178.4(15) . . . . ?
C40 C41 C42 C43 1(3) . . . . ?
C41 C42 C43 C44 -1(2) . . . . ?
F3 C42 C43 C44 178.5(11) . . . . ?
C42 C43 C44 C39 -1.2(18) . . . . ?
C42 C43 C44 Pt2 -179.2(10) . . . . ?
C40 C39 C44 C43 3(2) . . . . ?
C38 C39 C44 C43 179.6(12) . . . . ?
C40 C39 C44 Pt2 -178.8(12) . . . . ?
C38 C39 C44 Pt2 -2.2(15) . . . . ?
C48 N7 C45 C46 0.1(14) . . . . ?
N7 C45 C46 C47 -1.1(15) . . . . ?
C45 C46 C47 C48 1.7(15) . . . . ?
C45 N7 C48 C47 0.9(14) . . . . ?
C45 N7 C48 C49 -176.1(11) . . . . ?
C46 C47 C48 N7 -1.6(15) . . . . ?
C46 C47 C48 C49 175.1(13) . . . . ?
Pt3 O5 C49 C50 13.5(17) . . . . ?
Pt3 O5 C49 C48 -166.1(8) . . . . ?
N7 C48 C49 O5 177.3(11) . . . . ?
C47 C48 C49 O5 1.1(19) . . . . ?
N7 C48 C49 C50 -2.4(19) . . . . ?
C47 C48 C49 C50 -178.6(12) . . . . ?
O5 C49 C50 C51 -2(2) . . . . ?
C48 C49 C50 C51 178.0(11) . . . . ?
Pt3 O6 C51 C50 1.8(17) . . . . ?
Pt3 O6 C51 C52 -177.7(7) . . . . ?
C49 C50 C51 O6 -7(2) . . . . ?
C49 C50 C51 C52 172.2(11) . . . . ?
C55 N8 C52 C53 1.2(14) . . . . ?
C55 N8 C52 C51 179.8(11) . . . . ?
O6 C51 C52 N8 -5.2(16) . . . . ?
C50 C51 C52 N8 175.3(10) . . . . ?
O6 C51 C52 C53 173.1(13) . . . . ?
C50 C51 C52 C53 -6(2) . . . . ?
N8 C52 C53 C54 -0.6(15) . . . . ?
C51 C52 C53 C54 -179.0(13) . . . . ?
C52 C53 C54 C55 -0.2(16) . . . . ?
C53 C54 C55 N8 0.9(15) . . . . ?
C52 N8 C55 C54 -1.3(14) . . . . ?
C60 N9 C56 C57 -0.9(18) . . . . ?
Pt3 N9 C56 C57 175.9(9) . . . . ?
N9 C56 C57 C58 1.9(19) . . . . ?
C56 C57 C58 C59 -4(2) . . . . ?
C57 C58 C59 C60 5(2) . . . . ?
C56 N9 C60 C59 1.8(19) . . . . ?
Pt3 N9 C60 C59 -175.2(11) . . . . ?
C56 N9 C60 C61 178.2(11) . . . . ?
Pt3 N9 C60 C61 1.1(14) . . . . ?
C58 C59 C60 N9 -4(2) . . . . ?
C58 C59 C60 C61 -179.5(14) . . . . ?
N9 C60 C61 C62 178.7(14) . . . . ?
C59 C60 C61 C62 -5(2) . . . . ?
N9 C60 C61 C66 -1.9(17) . . . . ?
C59 C60 C61 C66 174.1(15) . . . . ?
C60 C61 C62 F6 -1(2) . . . . ?
C66 C61 C62 F6 179.3(13) . . . . ?
C60 C61 C62 C63 178.7(14) . . . . ?
C66 C61 C62 C63 -1(2) . . . . ?
F6 C62 C63 C64 -179.1(13) . . . . ?
C61 C62 C63 C64 1(2) . . . . ?
C62 C63 C64 C65 -1(2) . . . . ?
C62 C63 C64 F5 177.6(12) . . . . ?
C63 C64 C65 C66 1(2) . . . . ?
F5 C64 C65 C66 -177.5(11) . . . . ?
C64 C65 C66 C61 -0.9(19) . . . . ?
C64 C65 C66 Pt3 178.4(10) . . . . ?
C62 C61 C66 C65 0.7(19) . . . . ?
C60 C61 C66 C65 -178.7(12) . . . . ?
C62 C61 C66 Pt3 -178.7(11) . . . . ?
C60 C61 C66 Pt3 1.8(15) . . . . ?
C70 N10 C67 C68 -0.6(15) . . . . ?
N10 C67 C68 C69 0.5(17) . . . . ?
C67 C68 C69 C70 -0.3(19) . . . . ?
C67 N10 C70 C69 0.3(15) . . . . ?
C67 N10 C70 C71 -178.2(12) . . . . ?
C68 C69 C70 N10 0.0(17) . . . . ?
C68 C69 C70 C71 178.5(14) . . . . ?
Pt4 O7 C71 C72 3.8(19) . . . . ?
Pt4 O7 C71 C70 -173.0(8) . . . . ?
N10 C70 C71 O7 174.2(12) . . . . ?
C69 C70 C71 O7 -4(2) . . . . ?
N10 C70 C71 C72 -3(2) . . . . ?
C69 C70 C71 C72 178.9(14) . . . . ?
O7 C71 C72 C73 5(2) . . . . ?
C70 C71 C72 C73 -178.8(12) . . . . ?
Pt4 O8 C73 C72 5.2(16) . . . . ?
Pt4 O8 C73 C74 -179.5(7) . . . . ?
C71 C72 C73 O8 -9.5(19) . . . . ?
C71 C72 C73 C74 175.2(11) . . . . ?
C77 N11 C74 C75 1.4(14) . . . . ?
C77 N11 C74 C73 178.5(11) . . . . ?
O8 C73 C74 N11 0.0(16) . . . . ?
C72 C73 C74 N11 175.7(10) . . . . ?
O8 C73 C74 C75 176.3(13) . . . . ?
C72 C73 C74 C75 -8(2) . . . . ?
N11 C74 C75 C76 -1.2(14) . . . . ?
C73 C74 C75 C76 -177.9(13) . . . . ?
C74 C75 C76 C77 0.6(16) . . . . ?
C74 N11 C77 C76 -1.0(14) . . . . ?
C75 C76 C77 N11 0.2(15) . . . . ?
C82 N12 C78 C79 1.2(18) . . . . ?
Pt4 N12 C78 C79 177.3(9) . . . . ?
N12 C78 C79 C80 0.4(18) . . . . ?
C78 C79 C80 C81 -3(2) . . . . ?
C79 C80 C81 C82 4(2) . . . . ?
C80 C81 C82 N12 -2(2) . . . . ?
C80 C81 C82 C83 179.6(15) . . . . ?
C78 N12 C82 C81 0(2) . . . . ?
Pt4 N12 C82 C81 -176.5(12) . . . . ?
C78 N12 C82 C83 178.1(11) . . . . ?
Pt4 N12 C82 C83 1.7(15) . . . . ?
C81 C82 C83 C84 -6(3) . . . . ?
N12 C82 C83 C84 175.9(13) . . . . ?
C81 C82 C83 C88 176.5(15) . . . . ?
N12 C82 C83 C88 -1.5(18) . . . . ?
C88 C83 C84 F8 179.4(13) . . . . ?
C82 C83 C84 F8 2(2) . . . . ?
C88 C83 C84 C85 -3(2) . . . . ?
C82 C83 C84 C85 179.9(15) . . . . ?
F8 C84 C85 C86 180.0(14) . . . . ?
C83 C84 C85 C86 2(2) . . . . ?
C84 C85 C86 C87 -3(2) . . . . ?
C84 C85 C86 F7 176.5(14) . . . . ?
C85 C86 C87 C88 5(2) . . . . ?
F7 C86 C87 C88 -174.5(13) . . . . ?
C86 C87 C88 C83 -6(2) . . . . ?
C86 C87 C88 Pt4 176.1(11) . . . . ?
C84 C83 C88 C87 4(2) . . . . ?
C82 C83 C88 C87 -177.9(12) . . . . ?
C84 C83 C88 Pt4 -177.0(11) . . . . ?
C82 C83 C88 Pt4 0.6(15) . . . . ?
C97 N13 C89 C90 -168.7(12) . . . . ?
C93 N13 C89 C90 68.8(15) . . . . ?
C101 N13 C89 C90 -48.5(16) . . . . ?
N13 C89 C90 C91 -162.1(12) . . . . ?
C89 C90 C91 C92 76.4(15) . . . . ?
C97 N13 C93 C94 -54.6(14) . . . . ?
C101 N13 C93 C94 -175.6(11) . . . . ?
C89 N13 C93 C94 65.6(13) . . . . ?
N13 C93 C94 C95 -179.1(11) . . . . ?
C93 C94 C95 C96 179.5(13) . . . . ?
C93 N13 C97 C98 -51.8(15) . . . . ?
C101 N13 C97 C98 67.7(14) . . . . ?
C89 N13 C97 C98 -172.2(12) . . . . ?
N13 C97 C98 C99 -165.9(12) . . . . ?
C97 C98 C99 C100 -176.0(13) . . . . ?
C97 N13 C101 C102 53.9(14) . . . . ?
C93 N13 C101 C102 176.4(12) . . . . ?
C89 N13 C101 C102 -65.4(15) . . . . ?
N13 C101 C102 C103 167.7(12) . . . . ?
C101 C102 C103 C104 -75.0(16) . . . . ?
C109 N14 C105 C106 -63.9(14) . . . . ?
C113 N14 C105 C106 174.6(11) . . . . ?
C117 N14 C105 C106 53.7(14) . . . . ?
N14 C105 C106 C107 164.9(11) . . . . ?
C105 C106 C107 C108 171.9(12) . . . . ?
C105 N14 C109 C110 -55.0(14) . . . . ?
C113 N14 C109 C110 64.8(14) . . . . ?
C117 N14 C109 C110 -174.5(11) . . . . ?
N14 C109 C110 C111 -166.6(12) . . . . ?
C109 C110 C111 C112 74.7(15) . . . . ?
C105 N14 C113 C114 174.0(12) . . . . ?
C109 N14 C113 C114 51.4(15) . . . . ?
C117 N14 C113 C114 -66.2(15) . . . . ?
N14 C113 C114 C115 161.7(12) . . . . ?
C113 C114 C115 C116 -72.7(17) . . . . ?
C105 N14 C117 C118 55.3(13) . . . . ?
C109 N14 C117 C118 176.5(11) . . . . ?
C113 N14 C117 C118 -63.3(13) . . . . ?
N14 C117 C118 C119 -178.9(11) . . . . ?
C117 C118 C119 C120 178.0(12) . . . . ?
C125 N15 C121 C122 43(3) . . . . ?
C133 N15 C121 C122 -76(2) . . . . ?
C129 N15 C121 C122 164.1(19) . . . . ?
N15 C121 C122 C123 84(3) . . . . ?
C121 C122 C123 C124 165.7(18) . . . . ?
C121 N15 C125 C126 61.3(18) . . . . ?
C133 N15 C125 C126 -175.6(12) . . . . ?
C129 N15 C125 C126 -56.8(15) . . . . ?
N15 C125 C126 C127 -167.3(13) . . . . ?
C125 C126 C127 C128 69.0(17) . . . . ?
C121 N15 C129 C130 176.9(15) . . . . ?
C125 N15 C129 C130 -61.4(17) . . . . ?
C133 N15 C129 C130 54.9(17) . . . . ?
N15 C129 C130 C131 166.5(13) . . . . ?
C129 C130 C131 C132 178.8(14) . . . . ?
C121 N15 C133 C134 -56.7(16) . . . . ?
C125 N15 C133 C134 -179.4(12) . . . . ?
C129 N15 C133 C134 61.1(15) . . . . ?
N15 C133 C134 C135 174.2(12) . . . . ?
C133 C134 C135 C136 -179.7(12) . . . . ?
C145 N16 C137 C138 -171.7(13) . . . . ?
C149 N16 C137 C138 -51.1(17) . . . . ?
C141 N16 C137 C138 66.0(16) . . . . ?
N16 C137 C138 C139 -172.1(14) . . . . ?
C137 C138 C139 C140 -178.9(14) . . . . ?
C145 N16 C141 C142 -55.5(15) . . . . ?
C149 N16 C141 C142 -175.9(12) . . . . ?
C137 N16 C141 C142 64.7(15) . . . . ?
N16 C141 C142 C143 -177.7(12) . . . . ?
C141 C142 C143 C144 178.9(12) . . . . ?
C149 N16 C145 C146 64.9(16) . . . . ?
C141 N16 C145 C146 -53.9(16) . . . . ?
C137 N16 C145 C146 -174.0(12) . . . . ?
N16 C145 C146 C147 -166.3(13) . . . . ?
C145 C146 C147 C148 179.7(14) . . . . ?
C145 N16 C149 C150 53.5(17) . . . . ?
C141 N16 C149 C150 175.4(14) . . . . ?
C137 N16 C149 C150 -66.5(16) . . . . ?
N16 C149 C150 C151 165.5(14) . . . . ?
C149 C150 C151 C152 -78.2(18) . . . . ?
Cl5 C153 C154 Cl6 -177.1(9) . . . . ?
Cl7 C155 C156 Cl8 -63.8(17) . . . . ?
Cl9 C157 C158 Cl10 178.1(9) . . . . ?
Cl11 C159 C160 Cl12 64.4(13) . . . . ?
