#------------------------------------------------------------------------------
#$Date: 2024-04-05 01:49:56 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290851 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/09/1570981.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_1570981
loop_
_publ_author_name
'Khistiaeva, Viktoria V.'
'Buss, Stefan'
'Eskelinen, Toni'
'Hirva, Pipsa'
'Kinnunen, Niko'
'Friedel, Joshua'
'Kletsch, Lukas'
'Klein, Axel'
'Strassert, Cristian A.'
'Koshevoy, Igor O.'
_publ_section_title
;
 Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on
 aggregation and luminescence.
;
_journal_issue                   11
_journal_name_full               'Chemical science'
_journal_page_first              4005
_journal_page_last               4018
_journal_paper_doi               10.1039/d3sc06941a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C32 H12 B F24, C29 H20 N7 Pt2'
_chemical_formula_sum            'C61 H32 B F24 N7 Pt2'
_chemical_formula_weight         1719.92
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-07-30 deposited with the CCDC.	2024-01-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.385(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   37.583(4)
_cell_length_b                   19.550(2)
_cell_length_c                   16.6042(19)
_cell_measurement_reflns_used    9439
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.85
_cell_measurement_theta_min      2.90
_cell_volume                     11869(2)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2018 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2018 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            39691
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.119
_exptl_absorpt_coefficient_mu    4.833
_exptl_absorpt_correction_T_max  0.508
_exptl_absorpt_correction_T_min  0.270
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_description       block
_exptl_crystal_F_000             6592
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.367
_exptl_crystal_size_mid          0.292
_exptl_crystal_size_min          0.162
_refine_diff_density_max         4.563
_refine_diff_density_min         -2.840
_refine_diff_density_rms         0.146
_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     903
_refine_ls_number_reflns         11622
_refine_ls_number_restraints     348
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.1150
_refine_ls_R_factor_gt           0.0817
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0666P)²+272.4876P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1870
_refine_ls_wR_factor_ref         0.2085
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8117
_reflns_number_total             11622
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc06941a3.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 1570980--1570983.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1570981
_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   0.270
_shelx_estimated_absorpt_t_max   0.508
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1A Pt -0.08295(7) 0.54884(19) -0.0437(2) 0.0833(5) Uani 0.436(3) 1 d D . P A 1
Pt2A Pt 0.02492(13) 0.4554(3) 0.19050(17) 0.0534(5) Uani 0.436(3) 1 d D . P A 1
C1A C -0.0370(9) 0.5123(19) 0.033(2) 0.066(4) Uani 0.436(3) 1 d D . P A 1
N1A N -0.0145(7) 0.4931(17) 0.0799(16) 0.066(4) Uani 0.436(3) 1 d D . P A 1
C2A C -0.1005(5) 0.4536(8) -0.0868(12) 0.064(7) Uani 0.436(3) 1 d G U P A 1
C3A C -0.0863(5) 0.3908(11) -0.0560(10) 0.087(10) Uani 0.436(3) 1 d G . P A 1
H3A H -0.065150 0.388946 -0.011690 0.105 Uiso 0.436(3) 1 calc R U P A 1
C4A C -0.1029(6) 0.3306(8) -0.0900(13) 0.098(11) Uani 0.436(3) 1 d G . P A 1
H4A H -0.093196 0.287608 -0.068929 0.118 Uiso 0.436(3) 1 calc R U P A 1
C5A C -0.1338(6) 0.3332(8) -0.1549(13) 0.118(15) Uani 0.436(3) 1 d G . P A 1
H5A H -0.145226 0.292087 -0.178088 0.142 Uiso 0.436(3) 1 calc R U P A 1
C6A C -0.1481(5) 0.3961(10) -0.1857(12) 0.083(10) Uani 0.436(3) 1 d G U P A 1
H6A H -0.169209 0.397904 -0.230010 0.100 Uiso 0.436(3) 1 calc R U P A 1
C7A C -0.1314(6) 0.4563(7) -0.1517(13) 0.077(8) Uani 0.436(3) 1 d DG U P A 1
N2A N -0.1232(4) 0.5726(6) -0.1349(10) 0.087(4) Uani 0.436(3) 1 d G U P A 1
C12A C -0.1306(5) 0.6415(6) -0.1509(10) 0.087(4) Uani 0.436(3) 1 d DG . P A 1
C11A C -0.1595(5) 0.6610(6) -0.2155(11) 0.087(4) Uani 0.436(3) 1 d DG U P A 1
H11A H -0.164575 0.708150 -0.226446 0.104 Uiso 0.436(3) 1 calc R U P A 1
C10A C -0.1809(4) 0.6116(8) -0.2642(10) 0.087(4) Uani 0.436(3) 1 d G . P A 1
H10A H -0.200558 0.624881 -0.308312 0.104 Uiso 0.436(3) 1 calc R U P A 1
C9A C -0.1734(4) 0.5426(7) -0.2482(10) 0.087(4) Uani 0.436(3) 1 d G U P A 1
H9A H -0.188004 0.508791 -0.281412 0.104 Uiso 0.436(3) 1 calc R U P A 1
C8A C -0.1446(5) 0.5231(6) -0.1836(11) 0.087(4) Uani 0.436(3) 1 d DG . P A 1
C15A C -0.0613(6) 0.7056(9) 0.0113(13) 0.095(4) Uani 0.436(3) 1 d D U P A 1
H15A H -0.040701 0.701204 0.056432 0.114 Uiso 0.436(3) 1 calc R U P A 1
C14A C -0.0789(7) 0.7695(6) -0.0189(16) 0.095(4) Uani 0.436(3) 1 d D . P A 1
H14A H -0.072317 0.814364 0.001191 0.114 Uiso 0.436(3) 1 calc R U P A 1
C13A C -0.1068(6) 0.7509(10) -0.0825(14) 0.095(4) Uani 0.436(3) 1 d D . P A 1
H13A H -0.123907 0.781579 -0.114828 0.114 Uiso 0.436(3) 1 calc R U P A 1
N4A N -0.0785(6) 0.6538(5) -0.0337(14) 0.095(4) Uani 0.436(3) 1 d D U P A 1
N3A N -0.1069(6) 0.6823(10) -0.0934(12) 0.095(4) Uani 0.436(3) 1 d D . P A 1
C21A C 0.0733(6) 0.5379(6) 0.3010(14) 0.100(5) Uani 0.436(3) 1 d DG . P A 1
C20A C 0.0889(6) 0.5985(8) 0.3363(14) 0.100(5) Uani 0.436(3) 1 d G U P A 1
H20A H 0.109286 0.597129 0.382396 0.120 Uiso 0.436(3) 1 calc R U P A 1
C19A C 0.0747(7) 0.6610(6) 0.3041(16) 0.100(5) Uani 0.436(3) 1 d G . P A 1
H19A H 0.085366 0.702379 0.328278 0.120 Uiso 0.436(3) 1 calc R U P A 1
C18A C 0.0449(6) 0.6629(8) 0.2367(15) 0.100(5) Uani 0.436(3) 1 d G . P A 1
H18A H 0.035145 0.705644 0.214689 0.120 Uiso 0.436(3) 1 calc R U P A 1
C17A C 0.0292(5) 0.6023(11) 0.2013(12) 0.100(5) Uani 0.436(3) 1 d G . P A 1
H17A H 0.008845 0.603660 0.155216 0.120 Uiso 0.436(3) 1 calc R U P A 1
C16A C 0.0434(6) 0.5398(8) 0.2335(13) 0.100(5) Uani 0.436(3) 1 d G . P A 1
N5A N 0.0627(4) 0.4217(6) 0.2759(9) 0.072(4) Uani 0.436(3) 1 d DG . P A 1
C26A C 0.0673(4) 0.3518(6) 0.2897(10) 0.072(4) Uani 0.436(3) 1 d DG . P A 1
C25A C 0.0940(4) 0.3280(6) 0.3564(11) 0.070(7) Uani 0.436(3) 1 d G U P A 1
H25A H 0.097079 0.280181 0.365840 0.084 Uiso 0.436(3) 1 calc R U P A 1
C24A C 0.1160(4) 0.3740(8) 0.4092(9) 0.072(4) Uani 0.436(3) 1 d G . P A 1
H24A H 0.134248 0.357758 0.454733 0.086 Uiso 0.436(3) 1 calc R U P A 1
C23A C 0.1115(4) 0.4440(7) 0.3953(9) 0.072(4) Uani 0.436(3) 1 d G . P A 1
H23A H 0.126547 0.475446 0.431412 0.086 Uiso 0.436(3) 1 calc R U P A 1
C22A C 0.0848(4) 0.4678(5) 0.3287(10) 0.072(4) Uani 0.436(3) 1 d DG . P A 1
N6A N 0.0421(4) 0.3168(10) 0.2258(11) 0.070(3) Uani 0.436(3) 1 d D . P A 1
C28A C 0.0113(5) 0.2296(11) 0.1513(16) 0.070(3) Uani 0.436(3) 1 d D . P A 1
H28A H 0.003227 0.185746 0.130073 0.085 Uiso 0.436(3) 1 calc R U P A 1
C29A C -0.0034(6) 0.2968(11) 0.1225(18) 0.070(3) Uani 0.436(3) 1 d D . P A 1
H29A H -0.023753 0.302933 0.076865 0.085 Uiso 0.436(3) 1 calc R U P A 1
N7A N 0.0152(5) 0.3509(11) 0.1685(14) 0.070(3) Uani 0.436(3) 1 d D . P A 1
C27A C 0.0397(5) 0.2457(14) 0.2166(16) 0.070(3) Uani 0.436(3) 1 d D . P A 1
H27A H 0.055230 0.213502 0.250516 0.085 Uiso 0.436(3) 1 calc R U P A 1
F22A F 0.0956(6) 0.7585(9) 0.1548(14) 0.132(8) Uani 0.436(3) 1 d D U P A 1
F24A F 0.0646(8) 0.8316(14) 0.2066(17) 0.177(14) Uani 0.436(3) 1 d D U P A 1
F23A F 0.0848(7) 0.8576(11) 0.0994(14) 0.150(10) Uani 0.436(3) 1 d D U P A 1
C61A C 0.0933(6) 0.8248(9) 0.1724(12) 0.082(7) Uani 0.436(3) 1 d D U P A 1
C60A C 0.2218(7) 0.8954(12) 0.2027(17) 0.077(10) Uani 0.436(3) 1 d D U P A 1
F20A F 0.2226(14) 0.9519(13) 0.159(3) 0.17(2) Uani 0.436(3) 1 d D . P A 1
F19A F 0.2538(8) 0.893(2) 0.257(2) 0.20(2) Uani 0.436(3) 1 d D . P A 1
F21A F 0.2227(15) 0.8440(13) 0.151(2) 0.21(3) Uani 0.436(3) 1 d D . P A 1
C54A C 0.1622(6) 0.9056(15) 0.3523(11) 0.050(9) Uani 0.436(3) 1 d G U P A 1
C55A C 0.1916(5) 0.9105(16) 0.3147(15) 0.058(8) Uani 0.436(3) 1 d G . P A 1
H55A H 0.214144 0.929211 0.344371 0.070 Uiso 0.436(3) 1 calc R U P A 1
C56A C 0.1879(7) 0.8881(18) 0.2338(15) 0.070(10) Uani 0.436(3) 1 d DG . P A 1
C57A C 0.1548(8) 0.8607(16) 0.1904(12) 0.089(17) Uani 0.436(3) 1 d G . P A 1
H57A H 0.152291 0.845407 0.135056 0.107 Uiso 0.436(3) 1 calc R U P A 1
C58A C 0.1255(6) 0.8559(14) 0.2279(14) 0.066(13) Uani 0.436(3) 1 d G . P A 1
C59A C 0.1292(5) 0.8783(16) 0.3089(14) 0.053(7) Uani 0.436(3) 1 d G . P A 1
H59A H 0.109141 0.874977 0.334577 0.063 Uiso 0.436(3) 1 calc R U P A 1
Pt1 Pt -0.07220(6) 0.56885(14) -0.04391(18) 0.0833(5) Uani 0.564(3) 1 d D . P A
2
Pt2 Pt 0.02242(10) 0.4535(2) 0.16448(14) 0.0534(5) Uani 0.564(3) 1 d D . P A 2
C1 C -0.0185(6) 0.5024(14) 0.0953(13) 0.066(4) Uani 0.564(3) 1 d D U P A 2
N1 N -0.0367(6) 0.5268(11) 0.0483(11) 0.066(4) Uani 0.564(3) 1 d D . P A 2
C2 C -0.0588(6) 0.6642(8) -0.0065(13) 0.113(4) Uani 0.564(3) 1 d G . P A 2
C3 C -0.0308(5) 0.6876(10) 0.0576(11) 0.113(4) Uani 0.564(3) 1 d G U P A 2
H3 H -0.013862 0.656195 0.089097 0.136 Uiso 0.564(3) 1 calc R U P A 2
C4 C -0.0275(4) 0.7571(11) 0.0755(10) 0.113(4) Uani 0.564(3) 1 d G . P A 2
H4 H -0.008374 0.773171 0.119263 0.136 Uiso 0.564(3) 1 calc R U P A 2
C5 C -0.0523(6) 0.8031(8) 0.0294(13) 0.113(4) Uani 0.564(3) 1 d G . P A 2
H5 H -0.050070 0.850635 0.041632 0.136 Uiso 0.564(3) 1 calc R U P A 2
C6 C -0.0803(5) 0.7797(10) -0.0346(12) 0.113(4) Uani 0.564(3) 1 d G . P A 2
H6 H -0.097254 0.811124 -0.066167 0.136 Uiso 0.564(3) 1 calc R U P A 2
C7 C -0.0836(5) 0.7102(11) -0.0526(11) 0.113(4) Uani 0.564(3) 1 d DG . P A 2
C8 C -0.1131(4) 0.6873(6) -0.1194(9) 0.101(3) Uani 0.564(3) 1 d DG . P A 2
C9 C -0.1407(4) 0.7211(5) -0.1754(10) 0.101(3) Uani 0.564(3) 1 d G . P A 2
H9 H -0.141803 0.769601 -0.175377 0.121 Uiso 0.564(3) 1 calc R U P A 2
C10 C -0.1667(4) 0.6838(8) -0.2316(9) 0.101(3) Uani 0.564(3) 1 d G . P A 2
H10 H -0.185558 0.706912 -0.269925 0.121 Uiso 0.564(3) 1 calc R U P A 2
C11 C -0.1651(4) 0.6128(8) -0.2317(9) 0.101(3) Uani 0.564(3) 1 d G U P A 2
H11 H -0.182847 0.587335 -0.270086 0.121 Uiso 0.564(3) 1 calc R U P A 2
C12 C -0.1375(4) 0.5790(5) -0.1756(9) 0.101(3) Uani 0.564(3) 1 d DG . P A 2
N2 N -0.1115(4) 0.6162(6) -0.1195(8) 0.101(3) Uani 0.564(3) 1 d G U P A 2
C14 C -0.1355(6) 0.3950(7) -0.1763(14) 0.103(4) Uani 0.564(3) 1 d D . P A 2
H14 H -0.142521 0.349338 -0.191907 0.124 Uiso 0.564(3) 1 calc R U P A 2
C13 C -0.1518(5) 0.4531(10) -0.2094(12) 0.103(4) Uani 0.564(3) 1 d D . P A 2
H13 H -0.172880 0.455282 -0.253803 0.124 Uiso 0.564(3) 1 calc R U P A 2
C15 C -0.1050(5) 0.4174(8) -0.1117(13) 0.103(4) Uani 0.564(3) 1 d D . P A 2
H15 H -0.088379 0.387764 -0.076277 0.124 Uiso 0.564(3) 1 calc R U P A 2
N3 N -0.1336(6) 0.5079(6) -0.1701(13) 0.103(4) Uani 0.564(3) 1 d D U P A 2
N4 N -0.1036(5) 0.4866(8) -0.1088(12) 0.103(4) Uani 0.564(3) 1 d D . P A 2
C16 C 0.0090(5) 0.3601(6) 0.1259(12) 0.108(4) Uani 0.564(3) 1 d G U P A 2
C17 C -0.0173(5) 0.3410(9) 0.0559(11) 0.108(4) Uani 0.564(3) 1 d G . P A 2
H17 H -0.030709 0.375001 0.020648 0.129 Uiso 0.564(3) 1 calc R U P A 2
C18 C -0.0238(4) 0.2721(10) 0.0374(10) 0.108(4) Uani 0.564(3) 1 d G . P A 2
H18 H -0.041707 0.259074 -0.010478 0.129 Uiso 0.564(3) 1 calc R U P A 2
C19 C -0.0041(5) 0.2224(7) 0.0889(11) 0.108(4) Uani 0.564(3) 1 d G . P A 2
H19 H -0.008563 0.175338 0.076270 0.129 Uiso 0.564(3) 1 calc R U P A 2
C20 C 0.0221(5) 0.2415(7) 0.1589(11) 0.108(4) Uani 0.564(3) 1 d DG . P A 2
H20 H 0.035578 0.207527 0.194143 0.129 Uiso 0.564(3) 1 calc R U P A 2
C21 C 0.0287(5) 0.3104(7) 0.1774(10) 0.108(4) Uani 0.564(3) 1 d DG . P A 2
N5 N 0.0577(4) 0.4023(5) 0.2474(9) 0.097(4) Uani 0.564(3) 1 d DG . P A 2
C22 C 0.0571(4) 0.3312(5) 0.2465(9) 0.097(4) Uani 0.564(3) 1 d DG U P A 2
C23 C 0.0810(4) 0.2947(5) 0.3080(10) 0.097(4) Uani 0.564(3) 1 d G . P A 2
H23 H 0.080582 0.246117 0.307436 0.116 Uiso 0.564(3) 1 calc R U P A 2
C24 C 0.1055(4) 0.3293(7) 0.3703(9) 0.097(4) Uani 0.564(3) 1 d G . P A 2
H24 H 0.121811 0.304306 0.412255 0.116 Uiso 0.564(3) 1 calc R U P A 2
C25 C 0.1061(4) 0.4004(7) 0.3711(8) 0.097(4) Uani 0.564(3) 1 d G . P A 2
H25 H 0.122851 0.423979 0.413624 0.116 Uiso 0.564(3) 1 calc R U P A 2
C26 C 0.0822(4) 0.4369(5) 0.3096(9) 0.097(4) Uani 0.564(3) 1 d DG . P A 2
C27 C 0.1013(4) 0.5590(8) 0.3490(10) 0.077(3) Uani 0.564(3) 1 d D . P A 2
H27 H 0.121352 0.552781 0.395047 0.093 Uiso 0.564(3) 1 calc R U P A 2
C28 C 0.0882(5) 0.6203(6) 0.3176(12) 0.078(7) Uani 0.564(3) 1 d D . P A 2
H28 H 0.096750 0.664564 0.336437 0.094 Uiso 0.564(3) 1 calc R U P A 2
C29 C 0.0582(4) 0.6032(7) 0.2492(11) 0.077(3) Uani 0.564(3) 1 d D . P A 2
H29 H 0.043332 0.635422 0.213693 0.093 Uiso 0.564(3) 1 calc R U P A 2
N6 N 0.0817(4) 0.5079(5) 0.3053(11) 0.077(3) Uani 0.564(3) 1 d D . P A 2
N7 N 0.0544(4) 0.5352(7) 0.2431(11) 0.077(3) Uani 0.564(3) 1 d D . P A 2
F24 F 0.0671(5) 0.7695(8) 0.2360(11) 0.141(6) Uani 0.564(3) 1 d D U P A 2
F23 F 0.0671(5) 0.8253(10) 0.1245(9) 0.140(7) Uani 0.564(3) 1 d D U P A 2
F22 F 0.0466(6) 0.8721(9) 0.2214(12) 0.161(8) Uani 0.564(3) 1 d D U P A 2
C61 C 0.0721(4) 0.8301(8) 0.2059(10) 0.082(7) Uani 0.564(3) 1 d D . P A 2
C60 C 0.2016(4) 0.8824(10) 0.1940(10) 0.071(6) Uani 0.564(3) 1 d D . P A 2
F20 F 0.2049(9) 0.9428(12) 0.1593(19) 0.130(10) Uani 0.564(3) 1 d D . P A 2
F19 F 0.2349(5) 0.8697(11) 0.2412(13) 0.111(7) Uani 0.564(3) 1 d D . P A 2
F21 F 0.1979(9) 0.8376(15) 0.1321(15) 0.183(16) Uani 0.564(3) 1 d D . P A 2
C54 C 0.1512(5) 0.9044(11) 0.3643(10) 0.046(5) Uani 0.564(3) 1 d G . P A 2
C55 C 0.1785(4) 0.9062(11) 0.3203(12) 0.049(6) Uani 0.564(3) 1 d G U P A 2
H55 H 0.202004 0.923789 0.345569 0.059 Uiso 0.564(3) 1 calc R U P A 2
C56 C 0.1714(4) 0.8821(14) 0.2394(12) 0.070(8) Uani 0.564(3) 1 d DG . P A 2
C57 C 0.1371(5) 0.8563(12) 0.2024(10) 0.070(11) Uani 0.564(3) 1 d G . P A 2
H57 H 0.132212 0.839886 0.147119 0.084 Uiso 0.564(3) 1 calc R U P A 2
C58 C 0.1098(4) 0.8546(12) 0.2464(12) 0.073(9) Uani 0.564(3) 1 d DG . P A 2
C59 C 0.1169(4) 0.8786(13) 0.3273(12) 0.074(8) Uani 0.564(3) 1 d G . P A 2
H59 H 0.098226 0.877438 0.357404 0.089 Uiso 0.564(3) 1 calc R U P A 2
C32 C 0.2003(3) 0.7455(5) 0.5347(7) 0.055(3) Uani 1 1 d . . . . .
C52 C 0.1769(4) 1.1903(6) 0.4276(10) 0.088(4) Uani 1 1 d D . . . .
B1 B 0.1649(4) 0.9310(6) 0.4580(8) 0.058(3) Uani 1 1 d . . . . .
C46 C 0.1904(3) 1.0001(5) 0.4641(6) 0.053(2) Uani 1 1 d . . . . .
C51 C 0.2287(3) 0.9980(5) 0.4815(6) 0.056(2) Uani 1 1 d . . . . .
H51 H 0.240678 0.955260 0.494386 0.067 Uiso 1 1 calc R U . . .
C50 C 0.2496(3) 1.0561(5) 0.4806(7) 0.061(3) Uani 1 1 d D . . . .
F1 F 0.1922(10) 0.6715(9) 0.4197(10) 0.110(9) Uani 0.53(4) 1 d D . P B 1
F2 F 0.1653(6) 0.6452(12) 0.513(2) 0.103(9) Uani 0.53(4) 1 d D . P B 1
F3 F 0.2228(6) 0.6341(10) 0.5326(18) 0.115(8) Uani 0.53(4) 1 d D U P B 1
F1A F 0.2105(6) 0.6582(14) 0.4431(14) 0.086(7) Uani 0.47(4) 1 d D U P B 2
F3A F 0.2075(7) 0.6274(8) 0.5627(10) 0.084(7) Uani 0.47(4) 1 d D U P B 2
F2A F 0.1598(4) 0.6581(13) 0.4771(15) 0.079(7) Uani 0.47(4) 1 d D U P B 2
C36 C 0.1948(2) 0.6753(5) 0.5021(6) 0.063(3) Uani 1 1 d D . . . .
C34 C 0.2259(3) 0.8235(6) 0.6419(7) 0.059(3) Uani 1 1 d . . . . .
C33 C 0.2218(3) 0.7570(6) 0.6128(7) 0.059(3) Uani 1 1 d . . . . .
H33 H 0.233680 0.720214 0.645709 0.071 Uiso 1 1 calc R U . . .
C31 C 0.1829(3) 0.8001(5) 0.4866(7) 0.052(2) Uani 1 1 d . . . . .
H31 H 0.168170 0.790851 0.433027 0.062 Uiso 1 1 calc R U . . .
C35 C 0.2087(3) 0.8771(5) 0.5933(6) 0.055(2) Uani 1 1 d . . . . .
H35 H 0.212277 0.922247 0.614787 0.066 Uiso 1 1 calc R U . . .
C30 C 0.1866(3) 0.8675(5) 0.5144(6) 0.052(2) Uani 1 1 d . . . . .
C37 C 0.2488(4) 0.8369(8) 0.7252(9) 0.087(4) Uani 1 1 d . . . . .
C38 C 0.1283(3) 0.9498(6) 0.4897(8) 0.067(3) Uani 1 1 d . . . . .
C39 C 0.1261(3) 0.9406(5) 0.5725(9) 0.068(3) Uani 1 1 d . . . . .
H39 H 0.145880 0.918708 0.609428 0.082 Uiso 1 1 calc R U . . .
C40 C 0.0964(3) 0.9621(6) 0.6031(8) 0.076(4) Uani 1 1 d D . . . .
C41 C 0.0676(4) 0.9945(8) 0.5502(13) 0.107(6) Uani 1 1 d . . . . .
H41 H 0.047141 1.009291 0.570237 0.128 Uiso 1 1 calc R U . . .
C42 C 0.0683(3) 1.0053(8) 0.4697(12) 0.112(6) Uani 1 1 d D . . . .
C43 C 0.0984(4) 0.9826(7) 0.4392(10) 0.091(4) Uani 1 1 d . . . . .
H43 H 0.098229 0.990018 0.382555 0.109 Uiso 1 1 calc R U . . .
C44 C 0.0961(4) 0.9448(8) 0.6905(9) 0.094(5) Uani 1 1 d D . . . .
C45 C 0.0373(3) 1.0397(7) 0.4097(9) 0.188(15) Uani 1 1 d D . . . .
C47 C 0.1748(3) 1.0645(5) 0.4468(7) 0.057(3) Uani 1 1 d . . . . .
H47 H 0.148891 1.068721 0.434959 0.068 Uiso 1 1 calc R U . . .
C48 C 0.1957(3) 1.1226(5) 0.4463(7) 0.064(3) Uani 1 1 d D . . . .
C49 C 0.2336(3) 1.1195(6) 0.4639(7) 0.063(3) Uani 1 1 d . . . . .
H49 H 0.247939 1.159552 0.464356 0.076 Uiso 1 1 calc R U . . .
C53 C 0.2903(3) 1.0508(8) 0.4986(13) 0.096(5) Uani 1 1 d D . . . .
F4 F 0.2798(3) 0.8004(6) 0.7412(6) 0.148(4) Uani 1 1 d . . . . .
F5 F 0.2355(4) 0.8108(8) 0.7826(6) 0.180(6) Uani 1 1 d . . . . .
F6 F 0.2583(4) 0.8972(5) 0.7412(7) 0.178(7) Uani 1 1 d . . . . .
F7 F 0.0882(4) 0.8828(6) 0.7016(6) 0.179(6) Uani 1 1 d . . . . .
F8 F 0.1272(3) 0.9573(5) 0.7436(6) 0.119(3) Uani 1 1 d . . . . .
F9 F 0.0730(3) 0.9866(8) 0.7182(7) 0.165(5) Uani 1 1 d . . . . .
F10 F 0.0131(3) 1.0669(7) 0.4483(9) 0.216(8) Uani 1 1 d D . . . .
F11 F 0.0490(3) 1.0898(8) 0.3687(10) 0.238(10) Uani 1 1 d D . . . .
F12 F 0.0192(4) 0.9951(8) 0.3544(11) 0.279(13) Uani 1 1 d D . . . .
F13 F 0.1534(3) 1.2028(5) 0.4743(7) 0.142(4) Uani 1 1 d . . . . .
F14 F 0.1981(3) 1.2417(4) 0.4314(8) 0.146(4) Uani 1 1 d . . . . .
F15 F 0.1560(3) 1.1922(5) 0.3510(6) 0.152(5) Uani 1 1 d . . . . .
F16 F 0.3073(3) 1.1068(5) 0.5058(13) 0.223(9) Uani 1 1 d . . . . .
F17 F 0.3018(3) 1.0199(7) 0.4392(10) 0.165(5) Uani 1 1 d . . . . .
F18 F 0.3044(2) 1.0081(6) 0.5590(7) 0.137(4) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
N2A Pt1A C1A 167.5(14) . . ?
N2A Pt1A C2A 79.3(6) . . ?
C1A Pt1A C2A 93.3(12) . . ?
N2A Pt1A N4A 81.9(7) . . ?
C1A Pt1A N4A 105.0(13) . . ?
C2A Pt1A N4A 161.1(8) . . ?
C16A Pt2A N5A 82.6(5) . . ?
C16A Pt2A N7A 164.6(7) . . ?
N5A Pt2A N7A 81.9(6) . . ?
C16A Pt2A N1A 98.2(11) . . ?
N5A Pt2A N1A 172.6(11) . . ?
N7A Pt2A N1A 97.2(10) . . ?
C16A Pt2A Pt2A 89.0(9) . 2 ?
N5A Pt2A Pt2A 88.9(6) . 2 ?
N7A Pt2A Pt2A 90.3(6) . 2 ?
N1A Pt2A Pt2A 98.4(9) . 2 ?
N1A C1A Pt1A 172(4) . . ?
C1A N1A Pt2A 170(3) . . ?
C3A C2A C7A 120.0 . . ?
C3A C2A Pt1A 127.5(11) . . ?
C7A C2A Pt1A 112.4(11) . . ?
C4A C3A C2A 120.0 . . ?
C4A C3A H3A 120.0 . . ?
C2A C3A H3A 120.0 . . ?
C3A C4A C5A 120.0 . . ?
C3A C4A H4A 120.0 . . ?
C5A C4A H4A 120.0 . . ?
C4A C5A C6A 120.0 . . ?
C4A C5A H5A 120.0 . . ?
C6A C5A H5A 120.0 . . ?
C7A C6A C5A 120.0 . . ?
C7A C6A H6A 120.0 . . ?
C5A C6A H6A 120.0 . . ?
C6A C7A C2A 120.0 . . ?
C6A C7A C8A 122.0(14) . . ?
C2A C7A C8A 117.9(14) . . ?
C12A N2A C8A 120.0 . . ?
C12A N2A Pt1A 118.0(6) . . ?
C8A N2A Pt1A 122.0(6) . . ?
C11A C12A N2A 120.0 . . ?
C11A C12A N3A 129.2(9) . . ?
N2A C12A N3A 110.8(9) . . ?
C12A C11A C10A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
C10A C11A H11A 120.0 . . ?
C9A C10A C11A 120.0 . . ?
C9A C10A H10A 120.0 . . ?
C11A C10A H10A 120.0 . . ?
C8A C9A C10A 120.0 . . ?
C8A C9A H9A 120.0 . . ?
C10A C9A H9A 120.0 . . ?
C9A C8A N2A 120.0 . . ?
C9A C8A C7A 131.8(11) . . ?
N2A C8A C7A 108.2(11) . . ?
N4A C15A C14A 109.9(6) . . ?
N4A C15A H15A 125.1 . . ?
C14A C15A H15A 125.1 . . ?
C13A C14A C15A 104.2(6) . . ?
C13A C14A H14A 127.9 . . ?
C15A C14A H14A 127.9 . . ?
N3A C13A C14A 110.5(7) . . ?
N3A C13A H13A 124.8 . . ?
C14A C13A H13A 124.8 . . ?
C15A N4A N3A 106.6(7) . . ?
C15A N4A Pt1A 145.2(14) . . ?
N3A N4A Pt1A 107.8(13) . . ?
C13A N3A N4A 108.9(6) . . ?
C13A N3A C12A 129.7(16) . . ?
N4A N3A C12A 121.4(15) . . ?
C20A C21A C16A 120.0 . . ?
C20A C21A C22A 126.4(9) . . ?
C16A C21A C22A 113.6(9) . . ?
C21A C20A C19A 120.0 . . ?
C21A C20A H20A 120.0 . . ?
C19A C20A H20A 120.0 . . ?
C18A C19A C20A 120.0 . . ?
C18A C19A H19A 120.0 . . ?
C20A C19A H19A 120.0 . . ?
C17A C18A C19A 120.0 . . ?
C17A C18A H18A 120.0 . . ?
C19A C18A H18A 120.0 . . ?
C18A C17A C16A 120.0 . . ?
C18A C17A H17A 120.0 . . ?
C16A C17A H17A 120.0 . . ?
C17A C16A C21A 120.0 . . ?
C17A C16A Pt2A 123.6(9) . . ?
C21A C16A Pt2A 116.4(9) . . ?
C26A N5A C22A 120.0 . . ?
C26A N5A Pt2A 120.9(6) . . ?
C22A N5A Pt2A 119.0(6) . . ?
N5A C26A C25A 120.0 . . ?
N5A C26A N6A 108.3(11) . . ?
C25A C26A N6A 131.7(11) . . ?
C26A C25A C24A 120.0 . . ?
C26A C25A H25A 120.0 . . ?
C24A C25A H25A 120.0 . . ?
C23A C24A C25A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C25A C24A H24A 120.0 . . ?
C24A C23A C22A 120.0 . . ?
C24A C23A H23A 120.0 . . ?
C22A C23A H23A 120.0 . . ?
C23A C22A N5A 120.0 . . ?
C23A C22A C21A 131.6(8) . . ?
N5A C22A C21A 108.4(8) . . ?
N7A N6A C27A 112.5(16) . . ?
N7A N6A C26A 122.3(17) . . ?
C27A N6A C26A 125.1(17) . . ?
C27A C28A C29A 103(2) . . ?
C27A C28A H28A 128.6 . . ?
C29A C28A H28A 128.6 . . ?
N7A C29A C28A 113(2) . . ?
N7A C29A H29A 123.3 . . ?
C28A C29A H29A 123.3 . . ?
N6A N7A C29A 101.9(17) . . ?
N6A N7A Pt2A 106.2(15) . . ?
C29A N7A Pt2A 151.8(16) . . ?
C28A C27A N6A 110(2) . . ?
C28A C27A H27A 125.2 . . ?
N6A C27A H27A 125.2 . . ?
F24A C61A F22A 106.9(11) . . ?
F24A C61A F23A 107.0(11) . . ?
F22A C61A F23A 106.2(10) . . ?
F24A C61A C58A 109(2) . . ?
F22A C61A C58A 117(2) . . ?
F23A C61A C58A 111(2) . . ?
F19A C60A F20A 105.6(14) . . ?
F19A C60A F21A 105.3(15) . . ?
F20A C60A F21A 105.4(14) . . ?
F19A C60A C56A 118(2) . . ?
F20A C60A C56A 114(3) . . ?
F21A C60A C56A 108(3) . . ?
C55A C54A C59A 120.0 . . ?
C55A C54A B1 123.2(12) . . ?
C59A C54A B1 116.8(12) . . ?
C56A C55A C54A 120.0 . . ?
C56A C55A H55A 120.0 . . ?
C54A C55A H55A 120.0 . . ?
C57A C56A C55A 120.0 . . ?
C57A C56A C60A 126.3(18) . . ?
C55A C56A C60A 113.7(18) . . ?
C56A C57A C58A 120.0 . . ?
C56A C57A H57A 120.0 . . ?
C58A C57A H57A 120.0 . . ?
C59A C58A C57A 120.0 . . ?
C59A C58A C61A 128.3(18) . . ?
C57A C58A C61A 111.7(18) . . ?
C58A C59A C54A 120.0 . . ?
C58A C59A H59A 120.0 . . ?
C54A C59A H59A 120.0 . . ?
N2 Pt1 N1 169.6(9) . . ?
N2 Pt1 C2 81.6(7) . . ?
N1 Pt1 C2 94.1(9) . . ?
N2 Pt1 N4 77.5(6) . . ?
N1 Pt1 N4 106.0(9) . . ?
C2 Pt1 N4 158.9(8) . . ?
N2 Pt1 Pt2 97.7(5) . 5_565 ?
N1 Pt1 Pt2 92.5(8) . 5_565 ?
C2 Pt1 Pt2 100.9(6) . 5_565 ?
N4 Pt1 Pt2 85.0(6) . 5_565 ?
C1 Pt2 N5 169.8(11) . . ?
C1 Pt2 C16 99.0(10) . . ?
N5 Pt2 C16 80.5(6) . . ?
C1 Pt2 N7 103.8(10) . . ?
N5 Pt2 N7 76.6(5) . . ?
C16 Pt2 N7 157.1(6) . . ?
N1 C1 Pt2 167(2) . . ?
C1 N1 Pt1 177(2) . . ?
C3 C2 C7 120.0 . . ?
C3 C2 Pt1 129.8(12) . . ?
C7 C2 Pt1 110.2(12) . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 C8 118.7(16) . . ?
C2 C7 C8 121.3(16) . . ?
C9 C8 N2 120.0 . . ?
C9 C8 C7 133.4(12) . . ?
N2 C8 C7 106.5(12) . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 N2 120.0 . . ?
C11 C12 N3 124.5(11) . . ?
N2 C12 N3 115.5(11) . . ?
C12 N2 C8 120.0 . . ?
C12 N2 Pt1 119.7(6) . . ?
C8 N2 Pt1 120.2(6) . . ?
C13 C14 C15 104.8(6) . . ?
C13 C14 H14 127.6 . . ?
C15 C14 H14 127.6 . . ?
C14 C13 N3 109.9(7) . . ?
C14 C13 H13 125.1 . . ?
N3 C13 H13 125.1 . . ?
N4 C15 C14 110.3(6) . . ?
N4 C15 H15 124.9 . . ?
C14 C15 H15 124.9 . . ?
C13 N3 N4 110.3(6) . . ?
C13 N3 C12 136.2(17) . . ?
N4 N3 C12 113.5(16) . . ?
C15 N4 N3 104.7(6) . . ?
C15 N4 Pt1 141.6(14) . . ?
N3 N4 Pt1 113.7(13) . . ?
C17 C16 C21 120.0 . . ?
C17 C16 Pt2 127.1(9) . . ?
C21 C16 Pt2 112.9(9) . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 120.0 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C16 120.0 . . ?
C20 C21 C22 120.8(9) . . ?
C16 C21 C22 119.1(9) . . ?
C22 N5 C26 120.0 . . ?
C22 N5 Pt2 119.9(5) . . ?
C26 N5 Pt2 120.0(5) . . ?
C23 C22 N5 120.0 . . ?
C23 C22 C21 132.6(8) . . ?
N5 C22 C21 107.4(8) . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C26 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 N5 120.0 . . ?
C25 C26 N6 123.4(9) . . ?
N5 C26 N6 116.6(9) . . ?
N6 C27 C28 110.2(7) . . ?
N6 C27 H27 124.9 . . ?
C28 C27 H27 124.9 . . ?
C27 C28 C29 104.2(6) . . ?
C27 C28 H28 127.9 . . ?
C29 C28 H28 127.9 . . ?
N7 C29 C28 109.9(6) . . ?
N7 C29 H29 125.1 . . ?
C28 C29 H29 125.1 . . ?
C27 N6 N7 109.5(6) . . ?
C27 N6 C26 135.4(13) . . ?
N7 N6 C26 115.1(12) . . ?
C29 N7 N6 106.3(7) . . ?
C29 N7 Pt2 142.1(10) . . ?
N6 N7 Pt2 111.5(9) . . ?
F24 C61 F23 109.0(10) . . ?
F24 C61 F22 108.1(10) . . ?
F23 C61 F22 107.6(9) . . ?
F24 C61 C58 108.6(15) . . ?
F23 C61 C58 112.2(15) . . ?
F22 C61 C58 111.4(16) . . ?
F20 C60 F21 104.7(13) . . ?
F20 C60 F19 104.4(13) . . ?
F21 C60 F19 104.2(13) . . ?
F20 C60 C56 112(2) . . ?
F21 C60 C56 115(2) . . ?
F19 C60 C56 114.8(16) . . ?
C55 C54 C59 120.0 . . ?
C55 C54 B1 113.1(12) . . ?
C59 C54 B1 126.9(12) . . ?
C56 C55 C54 120.0 . . ?
C56 C55 H55 120.0 . . ?
C54 C55 H55 120.0 . . ?
C57 C56 C55 120.0 . . ?
C57 C56 C60 120.8(13) . . ?
C55 C56 C60 119.1(13) . . ?
C58 C57 C56 120.0 . . ?
C58 C57 H57 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C58 C59 120.0 . . ?
C57 C58 C61 120.5(14) . . ?
C59 C58 C61 119.5(14) . . ?
C58 C59 C54 120.0 . . ?
C58 C59 H59 120.0 . . ?
C54 C59 H59 120.0 . . ?
C33 C32 C31 120.4(10) . . ?
C33 C32 C36 120.0(9) . . ?
C31 C32 C36 119.6(9) . . ?
F14 C52 F13 108.6(12) . . ?
F14 C52 F15 104.5(12) . . ?
F13 C52 F15 103.2(13) . . ?
F14 C52 C48 115.1(13) . . ?
F13 C52 C48 112.9(12) . . ?
F15 C52 C48 111.6(11) . . ?
C54 B1 C38 106.4(11) . . ?
C54 B1 C46 112.1(11) . . ?
C38 B1 C46 108.7(9) . . ?
C54 B1 C30 108.1(11) . . ?
C38 B1 C30 109.3(9) . . ?
C46 B1 C30 112.1(9) . . ?
C38 B1 C54A 121.2(11) . . ?
C46 B1 C54A 100.7(11) . . ?
C30 B1 C54A 104.7(12) . . ?
C47 C46 C51 115.7(9) . . ?
C47 C46 B1 121.1(10) . . ?
C51 C46 B1 123.1(9) . . ?
C50 C51 C46 122.2(9) . . ?
C50 C51 H51 118.9 . . ?
C46 C51 H51 118.9 . . ?
C49 C50 C51 121.2(10) . . ?
C49 C50 C53 118.8(11) . . ?
C51 C50 C53 120.0(10) . . ?
F1A C36 F2A 106.8(13) . . ?
F2 C36 F3 107.3(12) . . ?
F2 C36 F1 104.7(11) . . ?
F3 C36 F1 102.6(11) . . ?
F1A C36 F3A 103.6(11) . . ?
F2A C36 F3A 102.0(11) . . ?
F1A C36 C32 117.8(14) . . ?
F2 C36 C32 114.8(11) . . ?
F2A C36 C32 113.3(14) . . ?
F3 C36 C32 113.2(12) . . ?
F1 C36 C32 113.2(11) . . ?
F3A C36 C32 111.7(11) . . ?
C33 C34 C35 120.6(10) . . ?
C33 C34 C37 119.3(11) . . ?
C35 C34 C37 120.2(11) . . ?
C32 C33 C34 118.4(10) . . ?
C32 C33 H33 120.8 . . ?
C34 C33 H33 120.8 . . ?
C30 C31 C32 122.3(10) . . ?
C30 C31 H31 118.8 . . ?
C32 C31 H31 118.8 . . ?
C34 C35 C30 122.8(10) . . ?
C34 C35 H35 118.6 . . ?
C30 C35 H35 118.6 . . ?
C31 C30 C35 115.6(9) . . ?
C31 C30 B1 121.7(9) . . ?
C35 C30 B1 122.8(9) . . ?
F6 C37 F5 111.3(16) . . ?
F6 C37 F4 105.4(14) . . ?
F5 C37 F4 96.4(13) . . ?
F6 C37 C34 116.5(12) . . ?
F5 C37 C34 112.6(13) . . ?
F4 C37 C34 112.5(13) . . ?
C43 C38 C39 115.1(12) . . ?
C43 C38 B1 122.3(12) . . ?
C39 C38 B1 122.3(10) . . ?
C40 C39 C38 123.5(12) . . ?
C40 C39 H39 118.3 . . ?
C38 C39 H39 118.3 . . ?
C41 C40 C39 118.9(13) . . ?
C41 C40 C44 122.7(14) . . ?
C39 C40 C44 118.3(12) . . ?
C42 C41 C40 120.4(13) . . ?
C42 C41 H41 119.8 . . ?
C40 C41 H41 119.8 . . ?
C41 C42 C43 120.2(12) . . ?
C41 C42 C45 122.2(14) . . ?
C43 C42 C45 117.6(15) . . ?
C38 C43 C42 122.0(14) . . ?
C38 C43 H43 119.0 . . ?
C42 C43 H43 119.0 . . ?
F7 C44 F8 106.4(15) . . ?
F7 C44 F9 109.7(14) . . ?
F8 C44 F9 101.7(12) . . ?
F7 C44 C40 114.3(11) . . ?
F8 C44 C40 113.8(12) . . ?
F9 C44 C40 110.2(14) . . ?
F11 C45 F12 107.9(10) . . ?
F11 C45 F10 107.2(9) . . ?
F12 C45 F10 107.2(9) . . ?
F11 C45 C42 111.9(12) . . ?
F12 C45 C42 110.9(13) . . ?
F10 C45 C42 111.5(12) . . ?
C48 C47 C46 122.0(10) . . ?
C48 C47 H47 119.0 . . ?
C46 C47 H47 119.0 . . ?
C47 C48 C49 121.4(9) . . ?
C47 C48 C52 118.9(11) . . ?
C49 C48 C52 119.7(11) . . ?
C50 C49 C48 117.5(10) . . ?
C50 C49 H49 121.3 . . ?
C48 C49 H49 121.3 . . ?
F16 C53 F17 102.9(16) . . ?
F16 C53 F18 112.0(14) . . ?
F17 C53 F18 97.8(13) . . ?
F16 C53 C50 115.6(12) . . ?
F17 C53 C50 112.4(14) . . ?
F18 C53 C50 114.1(13) . . ?
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
Pt1A N2A 1.933(9) . ?
Pt1A C1A 2.021(10) . ?
Pt1A C2A 2.048(15) . ?
Pt1A N4A 2.062(9) . ?
Pt2A C16A 1.867(13) . ?
Pt2A N5A 1.879(9) . ?
Pt2A N7A 2.09(2) . ?
Pt2A N1A 2.202(16) . ?
Pt2A Pt2A 3.021(8) 2 ?
C1A N1A 1.080(10) . ?
C2A C3A 1.3900 . ?
C2A C7A 1.3900 . ?
C3A C4A 1.3900 . ?
C3A H3A 0.9500 . ?
C4A C5A 1.3900 . ?
C4A H4A 0.9500 . ?
C5A C6A 1.3900 . ?
C5A H5A 0.9500 . ?
C6A C7A 1.3900 . ?
C6A H6A 0.9500 . ?
C7A C8A 1.452(9) . ?
N2A C12A 1.3900 . ?
N2A C8A 1.3900 . ?
C12A C11A 1.3900 . ?
C12A N3A 1.396(8) . ?
C11A C10A 1.3900 . ?
C11A H11A 0.9500 . ?
C10A C9A 1.3900 . ?
C10A H10A 0.9500 . ?
C9A C8A 1.3900 . ?
C9A H9A 0.9500 . ?
C15A N4A 1.333(9) . ?
C15A C14A 1.448(9) . ?
C15A H15A 0.9500 . ?
C14A C13A 1.355(9) . ?
C14A H14A 0.9500 . ?
C13A N3A 1.352(10) . ?
C13A H13A 0.9500 . ?
N4A N3A 1.394(9) . ?
C21A C20A 1.3900 . ?
C21A C16A 1.3900 . ?
C21A C22A 1.478(10) . ?
C20A C19A 1.3900 . ?
C20A H20A 0.9500 . ?
C19A C18A 1.3900 . ?
C19A H19A 0.9500 . ?
C18A C17A 1.3900 . ?
C18A H18A 0.9500 . ?
C17A C16A 1.3900 . ?
C17A H17A 0.9500 . ?
N5A C26A 1.3900 . ?
N5A C22A 1.3900 . ?
C26A C25A 1.3900 . ?
C26A N6A 1.423(10) . ?
C25A C24A 1.3900 . ?
C25A H25A 0.9500 . ?
C24A C23A 1.3900 . ?
C24A H24A 0.9500 . ?
C23A C22A 1.3900 . ?
C23A H23A 0.9500 . ?
N6A N7A 1.388(10) . ?
N6A C27A 1.40(3) . ?
C28A C27A 1.369(10) . ?
C28A C29A 1.462(10) . ?
C28A H28A 0.9500 . ?
C29A N7A 1.40(3) . ?
C29A H29A 0.9500 . ?
C27A H27A 0.9500 . ?
F22A C61A 1.336(10) . ?
F24A C61A 1.334(10) . ?
F23A C61A 1.341(10) . ?
C61A C58A 1.47(3) . ?
C60A F19A 1.327(10) . ?
C60A F20A 1.327(10) . ?
C60A F21A 1.332(10) . ?
C60A C56A 1.490(19) . ?
C54A C55A 1.3900 . ?
C54A C59A 1.3900 . ?
C54A B1 1.80(2) . ?
C55A C56A 1.3900 . ?
C55A H55A 0.9500 . ?
C56A C57A 1.3900 . ?
C57A C58A 1.3900 . ?
C57A H57A 0.9500 . ?
C58A C59A 1.3900 . ?
C59A H59A 0.9500 . ?
Pt1 N2 1.938(9) . ?
Pt1 N1 1.962(8) . ?
Pt1 C2 1.992(14) . ?
Pt1 N4 2.134(9) . ?
Pt1 Pt2 3.071(4) 5_565 ?
Pt2 C1 1.944(8) . ?
Pt2 N5 1.952(8) . ?
Pt2 C16 1.961(13) . ?
Pt2 N7 2.231(13) . ?
C1 N1 1.031(8) . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 C4 1.3900 . ?
C3 H3 0.9500 . ?
C4 C5 1.3900 . ?
C4 H4 0.9500 . ?
C5 C6 1.3900 . ?
C5 H5 0.9500 . ?
C6 C7 1.3900 . ?
C6 H6 0.9500 . ?
C7 C8 1.446(9) . ?
C8 C9 1.3900 . ?
C8 N2 1.3900 . ?
C9 C10 1.3900 . ?
C9 H9 0.9500 . ?
C10 C11 1.3900 . ?
C10 H10 0.9500 . ?
C11 C12 1.3900 . ?
C11 H11 0.9500 . ?
C12 N2 1.3900 . ?
C12 N3 1.397(9) . ?
C14 C13 1.346(9) . ?
C14 C15 1.443(9) . ?
C14 H14 0.9500 . ?
C13 N3 1.355(9) . ?
C13 H13 0.9500 . ?
C15 N4 1.355(9) . ?
C15 H15 0.9500 . ?
N3 N4 1.397(9) . ?
C16 C17 1.3900 . ?
C16 C21 1.3900 . ?
C17 C18 1.3900 . ?
C17 H17 0.9500 . ?
C18 C19 1.3900 . ?
C18 H18 0.9500 . ?
C19 C20 1.3900 . ?
C19 H19 0.9500 . ?
C20 C21 1.3900 . ?
C20 H20 0.9500 . ?
C21 C22 1.435(9) . ?
N5 C22 1.3900 . ?
N5 C26 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C23 H23 0.9500 . ?
C24 C25 1.3900 . ?
C24 H24 0.9500 . ?
C25 C26 1.3900 . ?
C25 H25 0.9500 . ?
C26 N6 1.390(9) . ?
C27 N6 1.348(9) . ?
C27 C28 1.355(9) . ?
C27 H27 0.9500 . ?
C28 C29 1.442(9) . ?
C28 H28 0.9500 . ?
C29 N7 1.338(9) . ?
C29 H29 0.9500 . ?
N6 N7 1.383(9) . ?
F24 C61 1.317(10) . ?
F23 C61 1.324(9) . ?
F22 C61 1.332(10) . ?
C61 C58 1.498(10) . ?
C60 F20 1.332(10) . ?
C60 F21 1.332(10) . ?
C60 F19 1.339(10) . ?
C60 C56 1.500(9) . ?
C54 C55 1.3900 . ?
C54 C59 1.3900 . ?
C54 B1 1.607(19) . ?
C55 C56 1.3900 . ?
C55 H55 0.9500 . ?
C56 C57 1.3900 . ?
C57 C58 1.3900 . ?
C57 H57 0.9500 . ?
C58 C59 1.3900 . ?
C59 H59 0.9500 . ?
C32 C33 1.379(15) . ?
C32 C31 1.401(14) . ?
C32 C36 1.473(15) . ?
C52 F14 1.276(17) . ?
C52 F13 1.325(18) . ?
C52 F15 1.331(16) . ?
C52 C48 1.500(9) . ?
B1 C38 1.623(18) . ?
B1 C46 1.647(16) . ?
B1 C30 1.653(15) . ?
C46 C47 1.392(13) . ?
C46 C51 1.399(14) . ?
C51 C50 1.384(14) . ?
C51 H51 0.9500 . ?
C50 C49 1.378(15) . ?
C50 C53 1.493(9) . ?
F1 C36 1.351(13) . ?
F2 C36 1.303(13) . ?
F3 C36 1.329(12) . ?
F1A C36 1.300(13) . ?
F3A C36 1.376(12) . ?
F2A C36 1.326(14) . ?
C34 C33 1.382(15) . ?
C34 C35 1.386(14) . ?
C34 C37 1.474(17) . ?
C33 H33 0.9500 . ?
C31 C30 1.392(14) . ?
C31 H31 0.9500 . ?
C35 C30 1.393(14) . ?
C35 H35 0.9500 . ?
C37 F6 1.242(16) . ?
C37 F5 1.279(18) . ?
C37 F4 1.343(18) . ?
C38 C43 1.394(17) . ?
C38 C39 1.408(18) . ?
C39 C40 1.393(17) . ?
C39 H39 0.9500 . ?
C40 C41 1.380(19) . ?
C40 C44 1.494(9) . ?
C41 C42 1.36(2) . ?
C41 H41 0.9500 . ?
C42 C43 1.41(2) . ?
C42 C45 1.505(9) . ?
C43 H43 0.9500 . ?
C44 F7 1.272(16) . ?
C44 F8 1.314(17) . ?
C44 F9 1.348(17) . ?
C45 F11 1.324(9) . ?
C45 F12 1.332(9) . ?
C45 F10 1.337(9) . ?
C47 C48 1.384(15) . ?
C47 H47 0.9500 . ?
C48 C49 1.385(16) . ?
C49 H49 0.9500 . ?
C53 F16 1.259(16) . ?
C53 F17 1.31(2) . ?
C53 F18 1.318(17) . ?
