#------------------------------------------------------------------------------
#$Date: 2024-07-05 19:41:49 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293108 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/57/7715732.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_7715732
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_sum            'C24 H16 F5 N2 O Pt Tl'
_chemical_formula_weight         842.85
_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             2022-05-25T18:40:49-00:00
_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                74.76(3)
_cell_angle_beta                 88.11(3)
_cell_angle_gamma                76.40(3)
_cell_formula_units_Z            4
_cell_length_a                   11.887(2)
_cell_length_b                   13.521(3)
_cell_length_c                   14.790(3)
_cell_measurement_reflns_used    10673
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.927
_cell_measurement_theta_min      2.235
_cell_measurement_wavelength     0.71073
_cell_volume                     2228.2(9)
_computing_cell_refinement       'SAINT 2008/4 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 0.997
_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      0.031395
_diffrn_orient_matrix_UB_12      0.037537
_diffrn_orient_matrix_UB_13      -0.059324
_diffrn_orient_matrix_UB_21      -0.059393
_diffrn_orient_matrix_UB_22      0.066113
_diffrn_orient_matrix_UB_23      -0.00013
_diffrn_orient_matrix_UB_31      0.054637
_diffrn_orient_matrix_UB_32      0.020956
_diffrn_orient_matrix_UB_33      0.037367
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_unetI/netI     0.0159
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            126056
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.927
_diffrn_reflns_theta_min         2.235
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.557
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.41
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    2.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.241
_exptl_crystal_size_mid          0.058
_exptl_crystal_size_min          0.034
_refine_diff_density_max         1.446
_refine_diff_density_min         -0.958
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     613
_refine_ls_number_reflns         10673
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0193
_refine_ls_R_factor_gt           0.015
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0020P)²+4.6958P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0296
_refine_ls_wR_factor_ref         0.0311
_reflns_Friedel_coverage         0
_reflns_number_gt                9443
_reflns_number_total             10673
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00674g2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7715732--7715733.cif.'
_cod_original_cell_volume        2228.1(9)
_cod_database_code               7715732
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
Pt1 Pt 0.35814(2) 0.51169(2) 0.68640(2) 0.01124(2) Uani 1 1 d . . . . .
Tl2 Tl 0.12530(2) 0.45429(2) 0.69014(2) 0.01316(2) Uani 1 1 d . . . . .
Pt2 Pt -0.13482(2) 0.49106(2) 0.68895(2) 0.01099(2) Uani 1 1 d . . . . .
Tl1 Tl 0.61941(2) 0.47532(2) 0.68795(2) 0.01657(3) Uani 1 1 d . . . . .
F10 F -0.34958(13) 0.69185(12) 0.62770(11) 0.0178(3) Uani 1 1 d . . . . .
F5 F 0.11462(13) 0.68086(12) 0.63650(12) 0.0200(3) Uani 1 1 d . . . . .
N3 N -0.10395(18) 0.33959(17) 0.66810(16) 0.0135(4) Uani 1 1 d . . . . .
F6 F -0.00090(13) 0.59765(13) 0.81292(12) 0.0217(4) Uani 1 1 d . . . . .
F1 F 0.47954(13) 0.66231(12) 0.77232(12) 0.0195(3) Uani 1 1 d . . . . .
F7 F -0.05976(15) 0.78349(14) 0.85398(13) 0.0276(4) Uani 1 1 d . . . . .
F9 F -0.40641(14) 0.87407(13) 0.67438(12) 0.0236(4) Uani 1 1 d . . . . .
F2 F 0.39371(15) 0.85268(13) 0.80173(12) 0.0230(4) Uani 1 1 d . . . . .
F4 F 0.03287(14) 0.86747(13) 0.67029(13) 0.0255(4) Uani 1 1 d . . . . .
F3 F 0.16853(15) 0.95539(13) 0.75545(12) 0.0246(4) Uani 1 1 d . . . . .
N1 N 0.41773(18) 0.35453(17) 0.68121(16) 0.0140(4) Uani 1 1 d . . . . .
O1 O 0.1916(2) 0.26696(17) 0.81406(15) 0.0315(5) Uani 1 1 d . . . . .
F8 F -0.26278(16) 0.92367(13) 0.78672(13) 0.0280(4) Uani 1 1 d . . . . .
C33 C -0.0857(2) 0.3129(2) 0.58756(19) 0.0164(5) Uani 1 1 d . . . . .
H33 H -0.082392 0.3662 0.531642 0.02 Uiso 1 1 calc R U . . .
C15 C 0.3008(2) 0.6586(2) 0.70494(18) 0.0138(5) Uani 1 1 d . . . . .
C35 C -0.1733(2) 0.6321(2) 0.72009(18) 0.0141(5) Uani 1 1 d . . . . .
C30 C -0.1092(2) 0.2626(2) 0.74871(19) 0.0151(5) Uani 1 1 d . . . . .
C26 C -0.1258(2) 0.2962(2) 0.83299(19) 0.0166(5) Uani 1 1 d . . . . .
C13 C 0.4217(2) 0.3156(2) 0.6066(2) 0.0181(5) Uani 1 1 d . . . . .
H13 H 0.393606 0.361905 0.547455 0.022 Uiso 1 1 calc R U . . .
C20 C 0.1885(2) 0.7178(2) 0.68021(19) 0.0156(5) Uani 1 1 d . . . . .
C6 C 0.4443(2) 0.3326(2) 0.84430(19) 0.0153(5) Uani 1 1 d . . . . .
C40 C -0.2743(2) 0.7086(2) 0.68695(18) 0.0146(5) Uani 1 1 d . . . . .
C1 C 0.3897(2) 0.4413(2) 0.82691(19) 0.0145(5) Uani 1 1 d . . . . .
C21 C -0.1367(2) 0.4057(2) 0.82584(19) 0.0154(5) Uani 1 1 d . . . . .
C10 C 0.4584(2) 0.2870(2) 0.7664(2) 0.0160(5) Uani 1 1 d . . . . .
C29 C -0.0964(2) 0.1563(2) 0.7487(2) 0.0194(6) Uani 1 1 d . . . . .
C44 C 0.2050(3) 0.1645(2) 0.7993(2) 0.0244(6) Uani 1 1 d . . . . .
H44A H 0.260222 0.154606 0.749048 0.029 Uiso 1 1 calc R U . . .
H44B H 0.129745 0.154064 0.781798 0.029 Uiso 1 1 calc R U . . .
C2 C 0.3729(2) 0.4818(2) 0.90461(19) 0.0184(5) Uani 1 1 d . . . . .
H2 H 0.33706 0.554373 0.896343 0.022 Uiso 1 1 calc R U . . .
C16 C 0.3666(2) 0.7094(2) 0.74582(19) 0.0152(5) Uani 1 1 d . . . . .
C12 C 0.4662(3) 0.2084(2) 0.6135(2) 0.0244(6) Uani 1 1 d . . . . .
H12 H 0.464965 0.182422 0.559845 0.029 Uiso 1 1 calc R U . . .
C32 C -0.0712(2) 0.2087(2) 0.5827(2) 0.0210(6) Uani 1 1 d . . . . .
H32 H -0.057316 0.191979 0.524148 0.025 Uiso 1 1 calc R U . . .
C19 C 0.1435(2) 0.8153(2) 0.6965(2) 0.0177(5) Uani 1 1 d . . . . .
C31 C -0.0770(2) 0.1308(2) 0.6621(2) 0.0225(6) Uani 1 1 d . . . . .
H31 H -0.068095 0.060123 0.658888 0.027 Uiso 1 1 calc R U . . .
O2 O 0.3373(2) 0.0085(2) 0.59321(18) 0.0375(6) Uani 1 1 d . . . . .
C11 C 0.5115(3) 0.1407(2) 0.6970(2) 0.0266(7) Uani 1 1 d . . . . .
H11 H 0.544063 0.068367 0.70111 0.032 Uiso 1 1 calc R U . . .
C9 C 0.5094(2) 0.1794(2) 0.7771(2) 0.0214(6) Uani 1 1 d . . . . .
C41 C 0.1760(3) 0.2613(2) 0.9123(2) 0.0232(6) Uani 1 1 d . . . . .
H41A H 0.095324 0.295407 0.923165 0.028 Uiso 1 1 calc R U . . .
H41B H 0.228826 0.297329 0.934488 0.028 Uiso 1 1 calc R U . . .
C36 C -0.1039(2) 0.6628(2) 0.77673(19) 0.0165(5) Uani 1 1 d . . . . .
C23 C -0.1480(3) 0.3585(3) 0.9964(2) 0.0259(7) Uani 1 1 d . . . . .
H23 H -0.153753 0.380377 1.052773 0.031 Uiso 1 1 calc R U . . .
C8 C 0.5522(3) 0.1163(2) 0.8689(2) 0.0275(7) Uani 1 1 d . . . . .
H8 H 0.590086 0.044184 0.877422 0.033 Uiso 1 1 calc R U . . .
C17 C 0.3251(2) 0.8074(2) 0.76268(19) 0.0165(5) Uani 1 1 d . . . . .
C22 C -0.1482(2) 0.4339(2) 0.9100(2) 0.0210(6) Uani 1 1 d . . . . .
H22 H -0.156348 0.50574 0.909375 0.025 Uiso 1 1 calc R U . . .
C25 C -0.1287(2) 0.2197(2) 0.9189(2) 0.0224(6) Uani 1 1 d . . . . .
C37 C -0.1320(2) 0.7586(2) 0.7998(2) 0.0193(6) Uani 1 1 d . . . . .
C24 C -0.1397(3) 0.2545(3) 1.0013(2) 0.0272(7) Uani 1 1 d . . . . .
H24 H -0.141458 0.205594 1.060356 0.033 Uiso 1 1 calc R U . . .
C7 C 0.5393(3) 0.1580(2) 0.9436(2) 0.0274(7) Uani 1 1 d . . . . .
H7 H 0.5681 0.114255 1.003516 0.033 Uiso 1 1 calc R U . . .
C4 C 0.4620(3) 0.3130(2) 1.0103(2) 0.0255(6) Uani 1 1 d . . . . .
H4 H 0.485435 0.271323 1.072112 0.031 Uiso 1 1 calc R U . . .
C3 C 0.4077(3) 0.4179(2) 0.9953(2) 0.0224(6) Uani 1 1 d . . . . .
H3 H 0.393504 0.447747 1.047207 0.027 Uiso 1 1 calc R U . . .
C45 C 0.3701(3) -0.0574(3) 0.5300(2) 0.0269(7) Uani 1 1 d . . . . .
H45A H 0.406549 -0.130462 0.565512 0.032 Uiso 1 1 calc R U . . .
H45B H 0.426541 -0.030649 0.485115 0.032 Uiso 1 1 calc R U . . .
C5 C 0.4828(2) 0.2673(2) 0.9342(2) 0.0209(6) Uani 1 1 d . . . . .
C39 C -0.3064(2) 0.8044(2) 0.7088(2) 0.0175(5) Uani 1 1 d . . . . .
C28 C -0.1016(3) 0.0814(2) 0.8368(2) 0.0262(7) Uani 1 1 d . . . . .
H28 H -0.094327 0.009409 0.838662 0.031 Uiso 1 1 calc R U . . .
C38 C -0.2344(2) 0.8297(2) 0.7658(2) 0.0188(6) Uani 1 1 d . . . . .
C48 C 0.2468(3) 0.0922(3) 0.5456(3) 0.0376(8) Uani 1 1 d . . . . .
H48A H 0.278339 0.145266 0.498948 0.045 Uiso 1 1 calc R U . . .
H48B H 0.200701 0.127057 0.590345 0.045 Uiso 1 1 calc R U . . .
C18 C 0.2115(2) 0.8607(2) 0.7389(2) 0.0185(5) Uani 1 1 d . . . . .
C27 C -0.1168(3) 0.1121(2) 0.9174(2) 0.0280(7) Uani 1 1 d . . . . .
H27 H -0.119551 0.060708 0.974755 0.034 Uiso 1 1 calc R U . . .
C46 C 0.2617(3) -0.0556(3) 0.4778(3) 0.0375(8) Uani 1 1 d . . . . .
H46A H 0.234563 -0.121095 0.503007 0.045 Uiso 1 1 calc R U . . .
H46B H 0.274547 -0.045776 0.409902 0.045 Uiso 1 1 calc R U . . .
C47 C 0.1733(3) 0.0431(3) 0.4977(3) 0.0359(8) Uani 1 1 d . . . . .
H47A H 0.137509 0.092891 0.438533 0.043 Uiso 1 1 calc R U . . .
H47B H 0.111375 0.021013 0.538916 0.043 Uiso 1 1 calc R U . . .
C34 C -0.1396(2) 0.5661(2) 0.55063(19) 0.0135(5) Uani 1 1 d . . . . .
C42 C 0.2035(4) 0.1455(3) 0.9635(3) 0.0420(9) Uani 1 1 d . . . . .
H42A H 0.260969 0.130395 1.015259 0.05 Uiso 1 1 calc R U . . .
H42B H 0.132595 0.124191 0.989987 0.05 Uiso 1 1 calc R U . . .
N2 N 0.1459(2) 0.39158(18) 0.52858(17) 0.0186(5) Uani 1 1 d . . . . .
N4 N 0.6513(2) 0.4026(2) 0.53556(17) 0.0210(5) Uani 1 1 d . . . . .
C14 C 0.3471(2) 0.5687(2) 0.5452(2) 0.0157(5) Uani 1 1 d . . . . .
C43 C 0.2513(4) 0.0885(3) 0.8926(3) 0.0413(9) Uani 1 1 d . . . . .
H43A H 0.224743 0.022445 0.90259 0.05 Uiso 1 1 calc R U . . .
H43B H 0.337007 0.071218 0.89536 0.05 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
C14 Pt1 C15 91.75(11) . . ?
C14 Pt1 C1 172.49(10) . . ?
C15 Pt1 C1 93.78(11) . . ?
C14 Pt1 N1 93.71(10) . . ?
C15 Pt1 N1 174.54(9) . . ?
C1 Pt1 N1 80.80(10) . . ?
C14 Pt1 Tl1 91.83(8) . . ?
C15 Pt1 Tl1 104.64(8) . . ?
C1 Pt1 Tl1 81.85(8) . . ?
N1 Pt1 Tl1 75.41(7) . . ?
C14 Pt1 Tl2 91.87(8) . . ?
C15 Pt1 Tl2 98.03(8) . . ?
C1 Pt1 Tl2 92.40(8) . . ?
N1 Pt1 Tl2 81.60(6) . . ?
Tl1 Pt1 Tl2 156.900(9) . . ?
O1 Tl2 N2 99.56(7) . . ?
O1 Tl2 Pt2 102.43(6) . . ?
N2 Tl2 Pt2 93.90(6) . . ?
O1 Tl2 Pt1 95.76(6) . . ?
N2 Tl2 Pt1 97.27(6) . . ?
Pt2 Tl2 Pt1 156.739(8) . . ?
C35 Pt2 C34 89.84(11) . . ?
C35 Pt2 C21 94.15(11) . . ?
C34 Pt2 C21 174.93(10) . . ?
C35 Pt2 N3 174.45(9) . . ?
C34 Pt2 N3 94.83(10) . . ?
C21 Pt2 N3 81.03(10) . . ?
C35 Pt2 Tl1 94.18(8) . 1_455 ?
C34 Pt2 Tl1 93.85(8) . 1_455 ?
C21 Pt2 Tl1 82.76(8) . 1_455 ?
N3 Pt2 Tl1 82.54(6) . 1_455 ?
C35 Pt2 Tl2 98.67(8) . . ?
C34 Pt2 Tl2 89.15(8) . . ?
C21 Pt2 Tl2 93.33(8) . . ?
N3 Pt2 Tl2 84.41(6) . . ?
Tl1 Pt2 Tl2 166.807(6) 1_455 . ?
N4 Tl1 Pt2 90.99(6) . 1_655 ?
N4 Tl1 Pt1 96.43(6) . . ?
Pt2 Tl1 Pt1 166.972(6) 1_655 . ?
C33 N3 C30 118.9(2) . . ?
C33 N3 Pt2 127.69(19) . . ?
C30 N3 Pt2 113.31(17) . . ?
C13 N1 C10 118.8(2) . . ?
C13 N1 Pt1 128.03(19) . . ?
C10 N1 Pt1 113.21(17) . . ?
C44 O1 C41 109.8(2) . . ?
C44 O1 Tl2 128.31(18) . . ?
C41 O1 Tl2 118.40(17) . . ?
N3 C33 C32 122.0(3) . . ?
N3 C33 H33 119 . . ?
C32 C33 H33 119 . . ?
C20 C15 C16 113.0(2) . . ?
C20 C15 Pt1 122.34(19) . . ?
C16 C15 Pt1 124.64(19) . . ?
C40 C35 C36 113.1(2) . . ?
C40 C35 Pt2 122.51(19) . . ?
C36 C35 Pt2 124.42(19) . . ?
N3 C30 C29 122.0(3) . . ?
N3 C30 C26 116.0(2) . . ?
C29 C30 C26 122.0(3) . . ?
C25 C26 C30 118.6(3) . . ?
C25 C26 C21 123.7(3) . . ?
C30 C26 C21 117.8(2) . . ?
N1 C13 C12 121.7(3) . . ?
N1 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
F5 C20 C19 115.3(2) . . ?
F5 C20 C15 120.2(2) . . ?
C19 C20 C15 124.4(3) . . ?
C5 C6 C1 123.4(3) . . ?
C5 C6 C10 118.8(2) . . ?
C1 C6 C10 117.8(2) . . ?
F10 C40 C39 115.2(2) . . ?
F10 C40 C35 120.1(2) . . ?
C39 C40 C35 124.7(2) . . ?
C2 C1 C6 116.3(2) . . ?
C2 C1 Pt1 131.8(2) . . ?
C6 C1 Pt1 111.82(19) . . ?
C22 C21 C26 115.7(3) . . ?
C22 C21 Pt2 132.7(2) . . ?
C26 C21 Pt2 111.61(19) . . ?
N1 C10 C9 122.3(3) . . ?
N1 C10 C6 115.8(2) . . ?
C9 C10 C6 121.9(3) . . ?
C31 C29 C30 117.5(3) . . ?
C31 C29 C28 124.7(3) . . ?
C30 C29 C28 117.8(3) . . ?
O1 C44 C43 104.7(3) . . ?
O1 C44 H44A 110.8 . . ?
C43 C44 H44A 110.8 . . ?
O1 C44 H44B 110.8 . . ?
C43 C44 H44B 110.8 . . ?
H44A C44 H44B 108.9 . . ?
C1 C2 C3 121.5(3) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
F1 C16 C17 115.6(2) . . ?
F1 C16 C15 120.1(2) . . ?
C17 C16 C15 124.4(2) . . ?
C11 C12 C13 120.4(3) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C31 C32 C33 120.0(3) . . ?
C31 C32 H32 120 . . ?
C33 C32 H32 120 . . ?
F4 C19 C18 119.4(2) . . ?
F4 C19 C20 120.6(2) . . ?
C18 C19 C20 120.1(2) . . ?
C32 C31 C29 119.5(3) . . ?
C32 C31 H31 120.2 . . ?
C29 C31 H31 120.2 . . ?
C48 O2 C45 105.1(3) . . ?
C12 C11 C9 119.4(3) . . ?
C12 C11 H11 120.3 . . ?
C9 C11 H11 120.3 . . ?
C10 C9 C11 117.4(3) . . ?
C10 C9 C8 117.8(3) . . ?
C11 C9 C8 124.8(3) . . ?
O1 C41 C42 106.5(3) . . ?
O1 C41 H41A 110.4 . . ?
C42 C41 H41A 110.4 . . ?
O1 C41 H41B 110.4 . . ?
C42 C41 H41B 110.4 . . ?
H41A C41 H41B 108.6 . . ?
F6 C36 C37 115.6(2) . . ?
F6 C36 C35 120.2(2) . . ?
C37 C36 C35 124.2(2) . . ?
C24 C23 C22 121.7(3) . . ?
C24 C23 H23 119.2 . . ?
C22 C23 H23 119.2 . . ?
C7 C8 C9 121.1(3) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
F2 C17 C18 118.9(2) . . ?
F2 C17 C16 121.4(2) . . ?
C18 C17 C16 119.7(2) . . ?
C21 C22 C23 121.5(3) . . ?
C21 C22 H22 119.3 . . ?
C23 C22 H22 119.3 . . ?
C24 C25 C26 117.2(3) . . ?
C24 C25 C27 124.1(3) . . ?
C26 C25 C27 118.7(3) . . ?
F7 C37 C38 119.6(2) . . ?
F7 C37 C36 120.9(2) . . ?
C38 C37 C36 119.5(3) . . ?
C23 C24 C25 120.2(3) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C8 C7 C5 121.6(3) . . ?
C8 C7 H7 119.2 . . ?
C5 C7 H7 119.2 . . ?
C3 C4 C5 120.1(3) . . ?
C3 C4 H4 120 . . ?
C5 C4 H4 120 . . ?
C4 C3 C2 121.2(3) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
O2 C45 C46 108.0(3) . . ?
O2 C45 H45A 110.1 . . ?
C46 C45 H45A 110.1 . . ?
O2 C45 H45B 110.1 . . ?
C46 C45 H45B 110.1 . . ?
H45A C45 H45B 108.4 . . ?
C4 C5 C6 117.5(3) . . ?
C4 C5 C7 123.8(3) . . ?
C6 C5 C7 118.7(3) . . ?
F9 C39 C38 119.5(2) . . ?
F9 C39 C40 121.1(2) . . ?
C38 C39 C40 119.4(2) . . ?
C27 C28 C29 120.9(3) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 H28 119.6 . . ?
F8 C38 C39 120.5(2) . . ?
F8 C38 C37 120.4(3) . . ?
C39 C38 C37 119.1(2) . . ?
O2 C48 C47 105.9(3) . . ?
O2 C48 H48A 110.6 . . ?
C47 C48 H48A 110.6 . . ?
O2 C48 H48B 110.6 . . ?
C47 C48 H48B 110.6 . . ?
H48A C48 H48B 108.7 . . ?
F3 C18 C19 120.6(2) . . ?
F3 C18 C17 121.0(2) . . ?
C19 C18 C17 118.4(2) . . ?
C28 C27 C25 122.1(3) . . ?
C28 C27 H27 119 . . ?
C25 C27 H27 119 . . ?
C45 C46 C47 102.0(3) . . ?
C45 C46 H46A 111.4 . . ?
C47 C46 H46A 111.4 . . ?
C45 C46 H46B 111.4 . . ?
C47 C46 H46B 111.4 . . ?
H46A C46 H46B 109.2 . . ?
C48 C47 C46 103.8(3) . . ?
C48 C47 H47A 111 . . ?
C46 C47 H47A 111 . . ?
C48 C47 H47B 111 . . ?
C46 C47 H47B 111 . . ?
H47A C47 H47B 109 . . ?
N2 C34 Pt2 177.8(2) 2_566 . ?
C43 C42 C41 105.8(3) . . ?
C43 C42 H42A 110.6 . . ?
C41 C42 H42A 110.6 . . ?
C43 C42 H42B 110.6 . . ?
C41 C42 H42B 110.6 . . ?
H42A C42 H42B 108.7 . . ?
C34 N2 Tl2 135.4(2) 2_566 . ?
C14 N4 Tl1 141.4(2) 2_666 . ?
N4 C14 Pt1 175.2(2) 2_666 . ?
C42 C43 C44 104.7(3) . . ?
C42 C43 H43A 110.8 . . ?
C44 C43 H43A 110.8 . . ?
C42 C43 H43B 110.8 . . ?
C44 C43 H43B 110.8 . . ?
H43A C43 H43B 108.9 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C14 2.024(3) . ?
Pt1 C15 2.030(3) . ?
Pt1 C1 2.051(3) . ?
Pt1 N1 2.097(2) . ?
Pt1 Tl1 3.0279(7) . ?
Pt1 Tl2 3.0401(7) . ?
Tl2 O1 2.667(2) . ?
Tl2 N2 2.724(2) . ?
Tl2 Pt2 3.0140(7) . ?
Pt2 C35 2.024(3) . ?
Pt2 C34 2.027(3) . ?
Pt2 C21 2.052(3) . ?
Pt2 N3 2.096(2) . ?
Pt2 Tl1 2.9795(6) 1_455 ?
Tl1 N4 2.669(3) . ?
F10 C40 1.368(3) . ?
F5 C20 1.361(3) . ?
N3 C33 1.330(3) . ?
N3 C30 1.372(3) . ?
F6 C36 1.360(3) . ?
F1 C16 1.365(3) . ?
F7 C37 1.348(3) . ?
F9 C39 1.350(3) . ?
F2 C17 1.351(3) . ?
F4 C19 1.353(3) . ?
F3 C18 1.345(3) . ?
N1 C13 1.336(3) . ?
N1 C10 1.372(4) . ?
O1 C44 1.430(4) . ?
O1 C41 1.443(4) . ?
F8 C38 1.350(3) . ?
C33 C32 1.400(4) . ?
C33 H33 0.95 . ?
C15 C20 1.390(4) . ?
C15 C16 1.396(4) . ?
C35 C40 1.393(4) . ?
C35 C36 1.395(4) . ?
C30 C29 1.411(4) . ?
C30 C26 1.428(4) . ?
C26 C25 1.417(4) . ?
C26 C21 1.430(4) . ?
C13 C12 1.399(4) . ?
C13 H13 0.95 . ?
C20 C19 1.382(4) . ?
C6 C5 1.410(4) . ?
C6 C1 1.419(4) . ?
C6 C10 1.430(4) . ?
C40 C39 1.381(4) . ?
C1 C2 1.387(4) . ?
C21 C22 1.389(4) . ?
C10 C9 1.407(4) . ?
C29 C31 1.409(4) . ?
C29 C28 1.434(4) . ?
C44 C43 1.517(5) . ?
C44 H44A 0.99 . ?
C44 H44B 0.99 . ?
C2 C3 1.406(4) . ?
C2 H2 0.95 . ?
C16 C17 1.385(4) . ?
C12 C11 1.368(5) . ?
C12 H12 0.95 . ?
C32 C31 1.368(4) . ?
C32 H32 0.95 . ?
C19 C18 1.375(4) . ?
C31 H31 0.95 . ?
O2 C48 1.412(4) . ?
O2 C45 1.439(4) . ?
C11 C9 1.413(4) . ?
C11 H11 0.95 . ?
C9 C8 1.436(4) . ?
C41 C42 1.511(4) . ?
C41 H41A 0.99 . ?
C41 H41B 0.99 . ?
C36 C37 1.388(4) . ?
C23 C24 1.370(5) . ?
C23 C22 1.410(4) . ?
C23 H23 0.95 . ?
C8 C7 1.355(5) . ?
C8 H8 0.95 . ?
C17 C18 1.381(4) . ?
C22 H22 0.95 . ?
C25 C24 1.409(4) . ?
C25 C27 1.434(4) . ?
C37 C38 1.377(4) . ?
C24 H24 0.95 . ?
C7 C5 1.445(4) . ?
C7 H7 0.95 . ?
C4 C3 1.374(4) . ?
C4 C5 1.410(4) . ?
C4 H4 0.95 . ?
C3 H3 0.95 . ?
C45 C46 1.516(4) . ?
C45 H45A 0.99 . ?
C45 H45B 0.99 . ?
C39 C38 1.377(4) . ?
C28 C27 1.356(5) . ?
C28 H28 0.95 . ?
C48 C47 1.506(5) . ?
C48 H48A 0.99 . ?
C48 H48B 0.99 . ?
C27 H27 0.95 . ?
C46 C47 1.579(5) . ?
C46 H46A 0.99 . ?
C46 H46B 0.99 . ?
C47 H47A 0.99 . ?
C47 H47B 0.99 . ?
C34 N2 1.157(4) 2_566 ?
C42 C43 1.483(5) . ?
C42 H42A 0.99 . ?
C42 H42B 0.99 . ?
N4 C14 1.156(4) 2_666 ?
C43 H43A 0.99 . ?
C43 H43B 0.99 . ?
