#------------------------------------------------------------------------------
#$Date: 2024-07-05 19:41:49 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293108 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/57/7715733.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_7715733
loop_
_publ_author_name
'Sadeghian, Mina'
'Gómez de Segura, David'
'Golbon Haghighi, Mohsen'
'Safari, Nasser'
'Lalinde, Elena'
'Moreno, M. Teresa'
_publ_section_title
;
 Ladder-like heteropolynuclear assemblies via cyanido bridges and
 platinum(II)-thallium(I) bonds: structural and photophysical properties.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7788
_journal_page_last               7800
_journal_paper_doi               10.1039/d4dt00674g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C38 H16 F14 N4 O0.61 Pt2 Tl2'
_chemical_formula_sum            'C76 H32 F28 N8 O1.22 Pt4 Tl4'
_chemical_formula_weight         3206.45
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2022-05-25T18:32:55-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2024-03-05 deposited with the CCDC.	2024-04-10 downloaded from the CCDC.
;
_cell_angle_alpha                101.227(2)
_cell_angle_beta                 101.332(3)
_cell_angle_gamma                98.078(3)
_cell_formula_units_Z            1
_cell_length_a                   12.0740(8)
_cell_length_b                   12.6188(9)
_cell_length_c                   12.9418(9)
_cell_measurement_reflns_used    9693
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.66
_cell_measurement_wavelength     0.71076
_cell_volume                     1863.3(2)
_computing_cell_refinement       'SAINT V8.40A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_orient_matrix_UB_11      0.042436
_diffrn_orient_matrix_UB_12      0.077645
_diffrn_orient_matrix_UB_13      0.017931
_diffrn_orient_matrix_UB_21      0.046058
_diffrn_orient_matrix_UB_22      -0.020668
_diffrn_orient_matrix_UB_23      -0.0546
_diffrn_orient_matrix_UB_31      -0.058892
_diffrn_orient_matrix_UB_32      0.017473
_diffrn_orient_matrix_UB_33      -0.057021
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71076
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            99409
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.243
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         2.606
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    16.215
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.858
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             1442
_exptl_crystal_size_max          0.275
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.179
_refine_diff_density_min         -1.138
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0227
_refine_ls_R_factor_gt           0.0205
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0092P)²+7.5301P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0461
_refine_ls_wR_factor_ref         0.0469
_reflns_Friedel_coverage         0
_reflns_number_gt                7140
_reflns_number_total             7619
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00674g2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7715732--7715733.cif.'
_cod_database_code               7715733
_shelx_estimated_absorpt_t_min   0.095
_shelx_estimated_absorpt_t_max   0.498
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Pt2 Pt 0.37691(2) 0.33675(2) 0.40135(2) 0.01210(4) Uani 1 1 d . . . . .
Pt1 Pt 0.25766(2) -0.14366(2) 0.34048(2) 0.01307(4) Uani 1 1 d . . . . .
Tl2 Tl 0.30847(2) 0.10698(2) 0.40855(2) 0.01582(4) Uani 1 1 d . . . . .
Tl1 Tl 0.80508(2) 0.38811(2) 0.65877(2) 0.01821(5) Uani 1 1 d . . . . .
F14 F 0.3379(2) 0.4623(2) 0.2106(2) 0.0211(6) Uani 1 1 d . . . . .
F7 F 0.7834(2) -0.0040(2) 0.8371(2) 0.0245(6) Uani 1 1 d . . . . .
F10 F 0.4604(2) 0.1307(2) 0.2639(2) 0.0213(6) Uani 1 1 d . . . . .
F3 F 0.6572(2) 0.3324(2) 0.8104(2) 0.0220(6) Uani 1 1 d . . . . .
N2 N 0.4737(3) 0.1287(3) 0.5810(3) 0.0230(8) Uani 1 1 d . . . . .
F1 F 1.1462(3) 0.1515(2) 0.5556(2) 0.0306(7) Uani 1 1 d . . . . .
F13 F 0.3580(3) 0.4127(2) 0.0055(2) 0.0288(6) Uani 1 1 d . . . . .
N3 N 0.3418(3) 0.3802(3) 0.5530(3) 0.0156(7) Uani 1 1 d . . . . .
F4 F 0.6475(2) 0.3676(2) 1.0184(2) 0.0276(6) Uani 1 1 d . . . . .
F11 F 0.4732(2) 0.0815(2) 0.0577(2) 0.0285(6) Uani 1 1 d . . . . .
F5 F 0.7036(2) 0.2199(2) 1.1383(2) 0.0284(6) Uani 1 1 d . . . . .
F12 F 0.4205(2) 0.2196(3) -0.0756(2) 0.0306(7) Uani 1 1 d . . . . .
C12 C 0.5709(4) 0.1333(3) 0.6090(3) 0.0169(9) Uani 1 1 d . . . . .
C30 C 0.5468(4) 0.3476(3) 0.4541(4) 0.0172(9) Uani 1 1 d . . . . .
F8 F -0.0164(2) 0.3916(2) 0.5072(2) 0.0301(7) Uani 1 1 d . . . . .
N1 N 0.7811(3) 0.1233(3) 0.5079(3) 0.0170(7) Uani 1 1 d . . . . .
N4 N 0.6461(3) 0.3553(3) 0.4827(3) 0.0233(8) Uani 1 1 d . . . . .
F6 F 0.7674(3) 0.0319(2) 1.0436(2) 0.0292(6) Uani 1 1 d . . . . .
C31 C 0.3966(4) 0.2986(3) 0.2483(3) 0.0150(8) Uani 1 1 d . . . . .
F2 F 1.1665(3) 0.2106(3) 0.9274(3) 0.0372(8) Uani 1 1 d . . . . .
F9 F -0.0486(2) 0.2699(3) 0.1356(3) 0.0342(7) Uani 1 1 d . . . . .
C14 C 0.6865(4) 0.2547(4) 0.8651(4) 0.0174(9) Uani 1 1 d . . . . .
C13 C 0.7226(4) 0.1633(3) 0.8128(3) 0.0157(8) Uani 1 1 d . . . . .
C29 C 0.4192(4) 0.3962(4) 0.6471(4) 0.0206(9) Uani 1 1 d . . . . .
H29 H 0.494762 0.384176 0.645319 0.025 Uiso 1 1 calc R U . . .
C19 C 0.2059(4) 0.3341(3) 0.3569(4) 0.0150(8) Uani 1 1 d . . . . .
C11 C 0.7012(4) 0.1013(3) 0.4136(4) 0.0187(9) Uani 1 1 d . . . . .
H11 H 0.622809 0.100544 0.415426 0.022 Uiso 1 1 calc R U . . .
C24 C 0.1547(4) 0.3680(3) 0.4445(4) 0.0162(9) Uani 1 1 d . . . . .
C1 C 0.9165(4) 0.1593(3) 0.7040(4) 0.0175(9) Uani 1 1 d . . . . .
C25 C 0.2323(4) 0.3961(3) 0.5540(4) 0.0174(9) Uani 1 1 d . . . . .
C7 C 0.8946(4) 0.1258(3) 0.5067(4) 0.0182(9) Uani 1 1 d . . . . .
C32 C 0.4321(4) 0.2048(4) 0.2021(4) 0.0176(9) Uani 1 1 d . . . . .
C15 C 0.6802(4) 0.2751(4) 0.9724(4) 0.0194(9) Uani 1 1 d . . . . .
C36 C 0.3721(4) 0.3657(3) 0.1757(4) 0.0164(9) Uani 1 1 d . . . . .
C20 C 0.1335(4) 0.3003(3) 0.2517(4) 0.0178(9) Uani 1 1 d . . . . .
H20 H 0.164123 0.27491 0.191224 0.021 Uiso 1 1 calc R U . . .
C18 C 0.7476(4) 0.0900(4) 0.8785(4) 0.0186(9) Uani 1 1 d . . . . .
C28 C 0.3935(4) 0.4296(4) 0.7466(4) 0.0251(10) Uani 1 1 d . . . . .
H28 H 0.449659 0.438367 0.811865 0.03 Uiso 1 1 calc R U . . .
C10 C 0.7306(4) 0.0797(4) 0.3141(4) 0.0223(10) Uani 1 1 d . . . . .
H10 H 0.672934 0.063339 0.248727 0.027 Uiso 1 1 calc R U . . .
C33 C 0.4405(4) 0.1768(4) 0.0960(4) 0.0213(10) Uani 1 1 d . . . . .
C6 C 0.9707(4) 0.1496(3) 0.6156(4) 0.0180(9) Uani 1 1 d . . . . .
C3 C 1.1026(4) 0.1901(4) 0.8247(4) 0.0244(10) Uani 1 1 d . . . . .
C23 C 0.0372(4) 0.3674(4) 0.4243(4) 0.0203(9) Uani 1 1 d . . . . .
C4 C 1.1584(4) 0.1820(4) 0.7416(4) 0.0241(10) Uani 1 1 d . . . . .
H4 H 1.23967 0.190472 0.754279 0.029 Uiso 1 1 calc R U . . .
C8 C 0.9276(4) 0.1062(4) 0.4084(4) 0.0220(10) Uani 1 1 d . . . . .
H8 H 1.006344 0.10893 0.407305 0.026 Uiso 1 1 calc R U . . .
C21 C 0.0183(4) 0.3046(4) 0.2377(4) 0.0216(10) Uani 1 1 d . . . . .
C9 C 0.8441(4) 0.0825(4) 0.3113(4) 0.0242(10) Uani 1 1 d . . . . .
H9 H 0.865669 0.068293 0.243942 0.029 Uiso 1 1 calc R U . . .
C5 C 1.0894(4) 0.1607(4) 0.6382(4) 0.0218(10) Uani 1 1 d . . . . .
C2 C 0.9844(4) 0.1801(4) 0.8088(4) 0.0211(9) Uani 1 1 d . . . . .
H2 H 0.949804 0.187448 0.86901 0.025 Uiso 1 1 calc R U . . .
C17 C 0.7406(4) 0.1059(4) 0.9849(4) 0.0207(9) Uani 1 1 d . . . . .
C35 C 0.3813(4) 0.3425(4) 0.0699(4) 0.0206(9) Uani 1 1 d . . . . .
C34 C 0.4143(4) 0.2461(4) 0.0285(4) 0.0225(10) Uani 1 1 d . . . . .
C16 C 0.7075(4) 0.2001(4) 1.0327(4) 0.0211(10) Uani 1 1 d . . . . .
C26 C 0.2034(4) 0.4332(4) 0.6523(4) 0.0246(10) Uani 1 1 d . . . . .
H26 H 0.128281 0.447229 0.653214 0.03 Uiso 1 1 calc R U . . .
C27 C 0.2849(5) 0.4496(4) 0.7489(4) 0.0276(11) Uani 1 1 d . . . . .
H27 H 0.265736 0.474585 0.816113 0.033 Uiso 1 1 calc R U . . .
C22 C -0.0330(4) 0.3375(4) 0.3214(4) 0.0222(10) Uani 1 1 d . . . . .
H22 H -0.112774 0.339667 0.308973 0.027 Uiso 1 1 calc R U . . .
C37 C 0.0887(6) 0.4680(5) 0.0297(5) 0.0442(15) Uani 1 1 d . . . . .
H37A H 0.066915 0.388701 0.02704 0.053 Uiso 1 1 calc R U . . .
H37B H 0.173624 0.484515 0.043918 0.053 Uiso 1 1 calc R U . . .
O1 O 0.0600(6) 0.5226(6) 0.1174(6) 0.0513(19) Uani 0.61 1 d . . P . .
C38 C 0.0464(7) 0.4821(6) -0.0771(6) 0.063(2) Uani 1 1 d . . . . .
H38A H 0.0871 0.554653 -0.080594 0.076 Uiso 1 1 calc R U . . .
H38B H 0.072478 0.426221 -0.127191 0.076 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tl Tl -2.8358 9.6688 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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
C30 Pt2 C31 88.76(17) . . ?
C30 Pt2 C19 176.13(17) . . ?
C31 Pt2 C19 94.46(17) . . ?
C30 Pt2 N3 96.41(16) . . ?
C31 Pt2 N3 174.50(15) . . ?
C19 Pt2 N3 80.31(16) . . ?
C30 Pt2 Tl2 97.04(12) . . ?
C31 Pt2 Tl2 93.70(12) . . ?
C19 Pt2 Tl2 84.93(11) . . ?
N3 Pt2 Tl2 87.57(10) . . ?
C13 Pt1 C12 88.74(17) 2_656 2_656 ?
C13 Pt1 C1 93.80(18) 2_656 2_656 ?
C12 Pt1 C1 176.69(17) 2_656 2_656 ?
C13 Pt1 N1 173.88(16) 2_656 2_656 ?
C12 Pt1 N1 97.36(16) 2_656 2_656 ?
C1 Pt1 N1 80.12(17) 2_656 2_656 ?
C13 Pt1 Tl2 99.42(12) 2_656 . ?
C12 Pt1 Tl2 85.68(12) 2_656 . ?
C1 Pt1 Tl2 95.98(11) 2_656 . ?
N1 Pt1 Tl2 80.65(10) 2_656 . ?
C13 Pt1 Tl1 97.85(12) 2_656 2_656 ?
C12 Pt1 Tl1 95.24(12) 2_656 2_656 ?
C1 Pt1 Tl1 82.33(11) 2_656 2_656 ?
N1 Pt1 Tl1 82.13(10) 2_656 2_656 ?
Tl2 Pt1 Tl1 162.723(8) . 2_656 ?
N2 Tl2 Pt2 91.43(9) . . ?
N2 Tl2 Pt1 97.96(9) . . ?
Pt2 Tl2 Pt1 160.299(8) . . ?
N4 Tl1 Pt1 89.06(9) . 2_656 ?
C12 N2 Tl2 142.8(4) . . ?
C29 N3 C25 119.5(4) . . ?
C29 N3 Pt2 124.5(3) . . ?
C25 N3 Pt2 116.0(3) . . ?
N2 C12 Pt1 179.2(4) . 2_656 ?
N4 C30 Pt2 178.3(4) . . ?
C11 N1 C7 119.9(4) . . ?
C11 N1 Pt1 123.9(3) . 2_656 ?
C7 N1 Pt1 116.0(3) . 2_656 ?
C30 N4 Tl1 140.6(4) . . ?
C32 C31 C36 112.5(4) . . ?
C32 C31 Pt2 125.3(3) . . ?
C36 C31 Pt2 122.2(3) . . ?
F3 C14 C15 116.0(4) . . ?
F3 C14 C13 119.8(4) . . ?
C15 C14 C13 124.2(4) . . ?
C14 C13 C18 113.2(4) . . ?
C14 C13 Pt1 122.6(3) . 2_656 ?
C18 C13 Pt1 124.2(3) . 2_656 ?
N3 C29 C28 122.8(5) . . ?
N3 C29 H29 118.6 . . ?
C28 C29 H29 118.6 . . ?
C20 C19 C24 117.7(4) . . ?
C20 C19 Pt2 128.1(3) . . ?
C24 C19 Pt2 114.2(3) . . ?
N1 C11 C10 121.8(4) . . ?
N1 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
C23 C24 C19 119.5(4) . . ?
C23 C24 C25 124.5(4) . . ?
C19 C24 C25 115.9(4) . . ?
C2 C1 C6 118.9(4) . . ?
C2 C1 Pt1 127.3(4) . 2_656 ?
C6 C1 Pt1 113.8(3) . 2_656 ?
N3 C25 C26 119.8(4) . . ?
N3 C25 C24 113.3(4) . . ?
C26 C25 C24 126.9(4) . . ?
N1 C7 C8 120.0(4) . . ?
N1 C7 C6 113.4(4) . . ?
C8 C7 C6 126.6(4) . . ?
C33 C32 F10 115.6(4) . . ?
C33 C32 C31 125.0(4) . . ?
F10 C32 C31 119.4(4) . . ?
F4 C15 C16 119.8(4) . . ?
F4 C15 C14 120.7(4) . . ?
C16 C15 C14 119.4(4) . . ?
F14 C36 C35 116.2(4) . . ?
F14 C36 C31 119.1(4) . . ?
C35 C36 C31 124.8(4) . . ?
C21 C20 C19 119.6(4) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
F7 C18 C17 116.0(4) . . ?
F7 C18 C13 119.5(4) . . ?
C17 C18 C13 124.5(4) . . ?
C27 C28 C29 118.5(5) . . ?
C27 C28 H28 120.8 . . ?
C29 C28 H28 120.8 . . ?
C9 C10 C11 119.2(4) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
F11 C33 C32 120.5(4) . . ?
F11 C33 C34 119.9(4) . . ?
C32 C33 C34 119.6(4) . . ?
C5 C6 C1 117.9(4) . . ?
C5 C6 C7 125.5(4) . . ?
C1 C6 C7 116.5(4) . . ?
F2 C3 C4 118.3(4) . . ?
F2 C3 C2 118.5(5) . . ?
C4 C3 C2 123.2(4) . . ?
F8 C23 C22 116.0(4) . . ?
F8 C23 C24 121.1(4) . . ?
C22 C23 C24 122.9(4) . . ?
C3 C4 C5 116.2(4) . . ?
C3 C4 H4 121.9 . . ?
C5 C4 H4 121.9 . . ?
C7 C8 C9 119.7(5) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
F9 C21 C22 118.5(4) . . ?
F9 C21 C20 117.7(4) . . ?
C22 C21 C20 123.7(4) . . ?
C10 C9 C8 119.6(4) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
F1 C5 C4 115.7(4) . . ?
F1 C5 C6 120.3(4) . . ?
C4 C5 C6 124.0(4) . . ?
C3 C2 C1 119.8(5) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
F6 C17 C16 119.6(4) . . ?
F6 C17 C18 121.1(4) . . ?
C16 C17 C18 119.3(4) . . ?
F13 C35 C36 121.1(4) . . ?
F13 C35 C34 119.3(4) . . ?
C36 C35 C34 119.6(4) . . ?
F12 C34 C35 120.9(4) . . ?
F12 C34 C33 120.5(4) . . ?
C35 C34 C33 118.6(4) . . ?
F5 C16 C15 120.0(4) . . ?
F5 C16 C17 120.7(4) . . ?
C15 C16 C17 119.3(4) . . ?
C27 C26 C25 119.8(5) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C28 C27 C26 119.6(5) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C21 C22 C23 116.7(4) . . ?
C21 C22 H22 121.7 . . ?
C23 C22 H22 121.7 . . ?
O1 C37 C38 123.0(7) . . ?
O1 C37 C38 39.3(4) . 2_565 ?
C38 C37 C38 91.0(6) . 2_565 ?
O1 C37 H37A 106.6 . . ?
C38 C37 H37A 106.6 . . ?
C38 C37 H37A 98.3 2_565 . ?
O1 C37 H37B 106.6 . . ?
C38 C37 H37B 106.6 . . ?
C38 C37 H37B 143.5 2_565 . ?
H37A C37 H37B 106.5 . . ?
C38 O1 C37 99.0(7) 2_565 . ?
O1 C38 C37 123.0(8) 2_565 . ?
O1 C38 C37 41.7(5) 2_565 2_565 ?
C37 C38 C37 89.0(6) . 2_565 ?
O1 C38 H38A 106.6 2_565 . ?
C37 C38 H38A 106.6 . . ?
C37 C38 H38A 97.7 2_565 . ?
O1 C38 H38B 106.6 2_565 . ?
C37 C38 H38B 106.6 . . ?
C37 C38 H38B 145.6 2_565 . ?
H38A C38 H38B 106.5 . . ?
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
Pt2 C30 2.007(4) . ?
Pt2 C31 2.014(4) . ?
Pt2 C19 2.025(4) . ?
Pt2 N3 2.075(4) . ?
Pt2 Tl2 2.9258(3) . ?
Pt1 C13 2.016(4) 2_656 ?
Pt1 C12 2.021(5) 2_656 ?
Pt1 C1 2.039(4) 2_656 ?
Pt1 N1 2.082(4) 2_656 ?
Pt1 Tl2 3.0518(3) . ?
Pt1 Tl1 3.0736(3) 2_656 ?
Tl2 N2 2.626(4) . ?
Tl1 N4 2.596(4) . ?
F14 C36 1.365(5) . ?
F7 C18 1.366(5) . ?
F10 C32 1.380(5) . ?
F3 C14 1.363(5) . ?
N2 C12 1.149(6) . ?
F1 C5 1.374(6) . ?
F13 C35 1.351(5) . ?
N3 C29 1.342(6) . ?
N3 C25 1.366(6) . ?
F4 C15 1.351(5) . ?
F11 C33 1.351(5) . ?
F5 C16 1.351(5) . ?
F12 C34 1.343(5) . ?
C30 N4 1.167(6) . ?
F8 C23 1.364(5) . ?
N1 C11 1.352(6) . ?
N1 C7 1.369(6) . ?
F6 C17 1.349(5) . ?
C31 C32 1.383(6) . ?
C31 C36 1.399(6) . ?
F2 C3 1.355(5) . ?
F9 C21 1.359(5) . ?
C14 C15 1.382(6) . ?
C14 C13 1.390(6) . ?
C13 C18 1.397(6) . ?
C29 C28 1.383(7) . ?
C29 H29 0.95 . ?
C19 C20 1.414(6) . ?
C19 C24 1.419(6) . ?
C11 C10 1.389(7) . ?
C11 H11 0.95 . ?
C24 C23 1.390(6) . ?
C24 C25 1.483(6) . ?
C1 C2 1.394(6) . ?
C1 C6 1.419(7) . ?
C25 C26 1.397(7) . ?
C7 C8 1.394(7) . ?
C7 C6 1.473(6) . ?
C32 C33 1.377(7) . ?
C15 C16 1.374(7) . ?
C36 C35 1.373(6) . ?
C20 C21 1.377(6) . ?
C20 H20 0.95 . ?
C18 C17 1.374(6) . ?
C28 C27 1.374(7) . ?
C28 H28 0.95 . ?
C10 C9 1.373(7) . ?
C10 H10 0.95 . ?
C33 C34 1.376(7) . ?
C6 C5 1.387(6) . ?
C3 C4 1.372(7) . ?
C3 C2 1.384(7) . ?
C23 C22 1.381(7) . ?
C4 C5 1.384(7) . ?
C4 H4 0.95 . ?
C8 C9 1.398(7) . ?
C8 H8 0.95 . ?
C21 C22 1.375(7) . ?
C9 H9 0.95 . ?
C2 H2 0.95 . ?
C17 C16 1.379(7) . ?
C35 C34 1.376(7) . ?
C26 C27 1.390(7) . ?
C26 H26 0.95 . ?
C27 H27 0.95 . ?
C22 H22 0.95 . ?
C37 O1 1.341(10) . ?
C37 C38 1.431(9) . ?
C37 C38 1.991(11) 2_565 ?
C37 H37A 0.99 . ?
C37 H37B 0.99 . ?
O1 C38 1.277(10) 2_565 ?
C38 H38A 0.99 . ?
C38 H38B 0.99 . ?
