#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:34:45 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223815 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/89/7048942.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_7048942
loop_
_publ_author_name
'Campillo, David'
'Belío, Úrsula'
'Martín, Antonio'
_publ_section_title
;
 New Pt→ M (M = Ag or Tl) complexes based on anionic
 cyclometalated Pt(ii) complexes.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3270
_journal_page_last               3283
_journal_paper_doi               10.1039/c9dt00121b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety
'C17 H11 Cl N Pt Tl, 0.283(C3 H6 O), 0.192(H2 O)'
_chemical_formula_sum            'C17.85 H13.08 Cl N O0.47 Pt Tl'
_chemical_formula_weight         684.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-02-05 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.180(2)
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   21.1251(4)
_cell_length_b                   19.1790(4)
_cell_length_c                   24.3449(5)
_cell_measurement_reflns_used    16661
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.8560
_cell_measurement_theta_min      4.3060
_cell_volume                     9641.5(3)
_computing_cell_refinement
;
'Tue Oct 25 11:34:29 2016'
;
_computing_data_collection
;
'Tue Oct 25 11:34:29 2016'
;
_computing_data_reduction
;
'Tue Oct 25 11:34:29 2016'
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0650
_diffrn_reflns_av_unetI/netI     0.0702
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            54965
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         4.284
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    18.875
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.08442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'Tue Oct 25 11:34:29 2016'
;
_exptl_crystal_colour            'translucent light red'
_exptl_crystal_density_diffrn    2.828
_exptl_crystal_description       prism
_exptl_crystal_F_000             7368
_exptl_crystal_size_max          0.2670
_exptl_crystal_size_mid          0.2005
_exptl_crystal_size_min          0.0744
_refine_diff_density_max         3.504
_refine_diff_density_min         -1.850
_refine_diff_density_rms         0.413
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1220
_refine_ls_number_reflns         16855
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0648
_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)+(0.0960P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1582
_refine_ls_wR_factor_ref         0.1765
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12675
_reflns_number_total             16855
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00121b2.cif
_cod_data_source_block           7_amt889
_cod_depositor_comments
'Adding full bibliography for 7048938--7048945.cif.'
_cod_original_cell_volume        9641.5(4)
_cod_database_code               7048942
_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.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1A Pt 0.44977(3) -0.17411(4) 0.23999(3) 0.04218(17) Uani 1 1 d . . . . .
Tl1A Tl 0.36651(3) -0.18759(4) 0.32032(3) 0.05057(19) Uani 1 1 d . . . . .
Cl1A Cl 0.5317(2) -0.1777(2) 0.32111(16) 0.0485(10) Uani 1 1 d . . . . .
N1A N 0.3814(6) -0.1713(6) 0.1710(5) 0.036(3) Uani 1 1 d . . . . .
C1A C 0.4224(8) -0.0715(9) 0.2435(7) 0.048(4) Uani 1 1 d . . . . .
C2A C 0.4448(8) -0.0185(11) 0.2818(7) 0.052(4) Uani 1 1 d . . . . .
H2A H 0.4751 -0.0287 0.3157 0.062 Uiso 1 1 calc R U . . .
C3A C 0.4220(7) 0.0515(9) 0.2700(7) 0.043(4) Uani 1 1 d . . . . .
C4A C 0.3758(10) 0.0686(9) 0.2217(7) 0.054(5) Uani 1 1 d . . . . .
C5A C 0.3510(8) 0.0130(10) 0.1857(8) 0.053(4) Uani 1 1 d . . . . .
H5A H 0.3193 0.0224 0.1526 0.064 Uiso 1 1 calc R U . . .
C6A C 0.3718(7) -0.0551(8) 0.1970(7) 0.041(4) Uani 1 1 d . . . . .
C7A C 0.3476(7) -0.1103(8) 0.1584(6) 0.038(3) Uani 1 1 d . . . . .
C8A C 0.2985(8) -0.1123(9) 0.1115(6) 0.045(4) Uani 1 1 d . . . . .
H8A H 0.2755 -0.0703 0.1004 0.054 Uiso 1 1 calc R U . . .
C9A C 0.2805(8) -0.1698(10) 0.0799(6) 0.044(4) Uani 1 1 d . . . . .
H9A H 0.2444 -0.1695 0.0491 0.053 Uiso 1 1 calc R U . . .
C10A C 0.3171(8) -0.2287(10) 0.0946(6) 0.048(4) Uani 1 1 d . . . . .
H10A H 0.3066 -0.2696 0.0725 0.058 Uiso 1 1 calc R U . . .
C11A C 0.3688(8) -0.2310(8) 0.1404(5) 0.038(4) Uani 1 1 d . . . . .
C12A C 0.4149(8) -0.2875(9) 0.1598(7) 0.046(4) Uani 1 1 d . . . . .
C13A C 0.4622(8) -0.2742(9) 0.2097(6) 0.042(4) Uani 1 1 d . . . . .
C14A C 0.5089(7) -0.3245(10) 0.2291(8) 0.051(4) Uani 1 1 d . . . . .
H14A H 0.5407 -0.3170 0.2625 0.061 Uiso 1 1 calc R U . . .
C15A C 0.5082(8) -0.3855(9) 0.1990(8) 0.050(4) Uani 1 1 d . . . . .
H15A H 0.5396 -0.4203 0.2123 0.060 Uiso 1 1 calc R U . . .
C16A C 0.4636(9) -0.3970(10) 0.1509(7) 0.054(5) Uani 1 1 d . . . . .
H16A H 0.4654 -0.4391 0.1306 0.065 Uiso 1 1 calc R U . . .
C17A C 0.4157(7) -0.3488(10) 0.1308(7) 0.048(4) Uani 1 1 d . . . . .
H17A H 0.3841 -0.3578 0.0976 0.058 Uiso 1 1 calc R U . . .
Pt1B Pt 0.22761(3) -0.23818(4) 0.30490(3) 0.04539(18) Uani 1 1 d . . . . .
Tl1B Tl 0.09242(3) -0.25341(4) 0.23776(3) 0.04850(18) Uani 1 1 d . . . . .
Cl1B Cl 0.2420(2) -0.1755(3) 0.22596(17) 0.0537(11) Uani 1 1 d . . . . .
N1B N 0.2195(6) -0.2863(8) 0.3749(5) 0.049(4) Uani 1 1 d . . . . .
C1B C 0.2796(7) -0.3316(8) 0.2972(6) 0.037(4) Uani 1 1 d . . . . .
C2B C 0.3094(9) -0.3482(11) 0.2528(8) 0.062(5) Uani 1 1 d . . . . .
H2B H 0.3058 -0.3197 0.2203 0.074 Uiso 1 1 calc R U . . .
C3B C 0.3444(9) -0.4094(12) 0.2600(9) 0.067(6) Uani 1 1 d . . . . .
H3B H 0.3682 -0.4208 0.2323 0.080 Uiso 1 1 calc R U . . .
C4B C 0.3479(9) -0.4566(13) 0.3053(8) 0.067(6) Uani 1 1 d . . . . .
H4B H 0.3706 -0.4997 0.3078 0.081 Uiso 1 1 calc R U . . .
C5B C 0.3160(8) -0.4348(10) 0.3445(7) 0.051(4) Uani 1 1 d . . . . .
H5B H 0.3165 -0.4639 0.3761 0.061 Uiso 1 1 calc R U . . .
C6B C 0.2818(7) -0.3712(10) 0.3415(8) 0.054(5) Uani 1 1 d . . . . .
C7B C 0.2496(7) -0.3507(8) 0.3870(6) 0.040(4) Uani 1 1 d . . . . .
C8B C 0.2426(8) -0.3837(9) 0.4347(6) 0.045(4) Uani 1 1 d . . . . .
H8B H 0.2626 -0.4278 0.4441 0.054 Uiso 1 1 calc R U . . .
C9B C 0.2060(8) -0.3531(9) 0.4701(6) 0.047(4) Uani 1 1 d . . . . .
H9B H 0.2006 -0.3767 0.5031 0.056 Uiso 1 1 calc R U . . .
C10B C 0.1781(7) -0.2890(9) 0.4571(7) 0.045(4) Uani 1 1 d . . . . .
H10B H 0.1538 -0.2684 0.4815 0.054 Uiso 1 1 calc R U . . .
C11B C 0.1847(8) -0.2529(9) 0.4077(7) 0.044(4) Uani 1 1 d . . . . .
C12B C 0.1637(9) -0.1832(9) 0.3910(6) 0.046(4) Uani 1 1 d . . . . .
C13B C 0.1791(7) -0.1618(9) 0.3393(6) 0.042(4) Uani 1 1 d . . . . .
C14B C 0.1623(7) -0.0940(10) 0.3218(7) 0.051(4) Uani 1 1 d . . . . .
H14B H 0.1689 -0.0785 0.2863 0.061 Uiso 1 1 calc R U . . .
C15B C 0.1368(8) -0.0498(11) 0.3546(8) 0.060(5) Uani 1 1 d . . . . .
H15B H 0.1266 -0.0035 0.3421 0.072 Uiso 1 1 calc R U . . .
C16B C 0.1253(10) -0.0706(10) 0.4058(8) 0.060(5) Uani 1 1 d . . . . .
H16B H 0.1086 -0.0384 0.4288 0.072 Uiso 1 1 calc R U . . .
C17B C 0.1382(8) -0.1388(9) 0.4234(7) 0.047(4) Uani 1 1 d . . . . .
H17B H 0.1291 -0.1541 0.4581 0.057 Uiso 1 1 calc R U . . .
Pt1C Pt -0.05196(3) -0.27624(4) 0.25704(3) 0.04317(17) Uani 1 1 d . . . . .
Tl1C Tl -0.14213(3) -0.26302(5) 0.33062(3) 0.0574(2) Uani 1 1 d . . . . .
Cl1C Cl 0.0274(2) -0.2821(2) 0.33957(16) 0.0496(10) Uani 1 1 d . . . . .
N1C N -0.1159(7) -0.2730(8) 0.1862(5) 0.046(3) Uani 1 1 d . . . . .
C1C C -0.0414(8) -0.1729(9) 0.2366(7) 0.052(4) Uani 1 1 d . . . . .
C2C C 0.0012(8) -0.1205(10) 0.2606(7) 0.052(4) Uani 1 1 d . . . . .
H2C H 0.0305 -0.1296 0.2951 0.062 Uiso 1 1 calc R U . . .
C3C C 0.0024(8) -0.0561(11) 0.2363(8) 0.061(5) Uani 1 1 d . . . . .
H3C H 0.0323 -0.0220 0.2544 0.073 Uiso 1 1 calc R U . . .
C4C C -0.0399(8) -0.0394(10) 0.1849(8) 0.063(5) Uani 1 1 d . . . . .
H4C H -0.0394 0.0054 0.1683 0.075 Uiso 1 1 calc R U . . .
C5C C -0.0822(9) -0.0906(10) 0.1597(8) 0.057(5) Uani 1 1 d . . . . .
H5C H -0.1109 -0.0802 0.1251 0.068 Uiso 1 1 calc R U . . .
C6C C -0.0847(8) -0.1568(9) 0.1826(7) 0.050(4) Uani 1 1 d . . . . .
C7C C -0.1247(7) -0.2118(10) 0.1578(7) 0.048(4) Uani 1 1 d . . . . .
C8C C -0.1697(9) -0.2085(10) 0.1060(8) 0.057(5) Uani 1 1 d . . . . .
H8C H -0.1762 -0.1665 0.0849 0.069 Uiso 1 1 calc R U . . .
C9C C -0.2046(9) -0.2692(10) 0.0865(7) 0.054(5) Uani 1 1 d . . . . .
H9C H -0.2356 -0.2682 0.0520 0.065 Uiso 1 1 calc R U . . .
C10C C -0.1940(8) -0.3311(8) 0.1177(6) 0.043(4) Uani 1 1 d . . . . .
H10C H -0.2187 -0.3716 0.1051 0.052 Uiso 1 1 calc R U . . .
C11C C -0.1482(8) -0.3327(10) 0.1661(6) 0.047(4) Uani 1 1 d . . . . .
C12C C -0.1245(8) -0.3939(10) 0.2009(6) 0.049(4) Uani 1 1 d . . . . .
C13C C -0.0777(7) -0.3817(8) 0.2528(6) 0.039(4) Uani 1 1 d . . . . .
C14C C -0.0540(8) -0.4371(9) 0.2843(7) 0.048(4) Uani 1 1 d . . . . .
H14C H -0.0260 -0.4294 0.3199 0.057 Uiso 1 1 calc R U . . .
C15C C -0.0687(8) -0.5040(10) 0.2670(7) 0.048(4) Uani 1 1 d . . . . .
H15C H -0.0485 -0.5415 0.2895 0.058 Uiso 1 1 calc R U . . .
C16C C -0.1127(8) -0.5185(9) 0.2172(6) 0.046(4) Uani 1 1 d . . . . .
H16C H -0.1225 -0.5650 0.2050 0.055 Uiso 1 1 calc R U . . .
C17C C -0.1411(8) -0.4627(10) 0.1867(7) 0.048(4) Uani 1 1 d . . . . .
H17C H -0.1739 -0.4714 0.1542 0.058 Uiso 1 1 calc R U . . .
Pt1D Pt -0.26335(3) -0.17825(4) 0.31443(3) 0.04553(18) Uani 1 1 d . . . . .
Tl1D Tl 0.60279(3) -0.18613(4) 0.22151(3) 0.04815(18) Uani 1 1 d . . . . .
Cl1D Cl -0.2293(2) -0.1421(3) 0.23428(18) 0.0573(11) Uani 1 1 d . . . . .
N1D N -0.2990(6) -0.2040(7) 0.3792(5) 0.043(3) Uani 1 1 d . . . . .
C1D C -0.2348(7) -0.0915(10) 0.3645(7) 0.050(4) Uani 1 1 d . . . . .
C2D C -0.1958(10) -0.0346(11) 0.3572(8) 0.065(5) Uani 1 1 d . . . . .
H2D H -0.1797 -0.0317 0.3236 0.078 Uiso 1 1 calc R U . . .
C3D C -0.1792(11) 0.0188(10) 0.3979(8) 0.063(5) Uani 1 1 d . . . . .
H3D H -0.1521 0.0565 0.3923 0.076 Uiso 1 1 calc R U . . .
C4D C -0.2044(10) 0.0141(13) 0.4467(8) 0.071(6) Uani 1 1 d . . . . .
H4D H -0.1953 0.0496 0.4744 0.085 Uiso 1 1 calc R U . . .
C5D C -0.2436(9) -0.0443(11) 0.4546(7) 0.059(5) Uani 1 1 d . . . . .
H5D H -0.2601 -0.0471 0.4879 0.071 Uiso 1 1 calc R U . . .
C6D C -0.2579(7) -0.0956(10) 0.4156(6) 0.050(4) Uani 1 1 d . . . . .
C7D C -0.2943(7) -0.1578(10) 0.4230(7) 0.050(4) Uani 1 1 d . . . . .
C8D C -0.3224(9) -0.1744(11) 0.4685(7) 0.055(5) Uani 1 1 d . . . . .
H8D H -0.3211 -0.1427 0.4987 0.066 Uiso 1 1 calc R U . . .
C9D C -0.3515(9) -0.2377(11) 0.4678(6) 0.055(5) Uani 1 1 d . . . . .
H9D H -0.3714 -0.2490 0.4982 0.066 Uiso 1 1 calc R U . . .
C10D C -0.3541(8) -0.2867(10) 0.4254(7) 0.050(4) Uani 1 1 d . . . . .
H10D H -0.3737 -0.3310 0.4271 0.060 Uiso 1 1 calc R U . . .
C11D C -0.3268(8) -0.2679(9) 0.3808(6) 0.044(4) Uani 1 1 d . . . . .
C12D C -0.3243(9) -0.3104(10) 0.3306(7) 0.051(4) Uani 1 1 d . . . . .
C13D C -0.2947(8) -0.2798(8) 0.2884(7) 0.043(4) Uani 1 1 d . . . . .
C14D C -0.2925(7) -0.3166(10) 0.2412(6) 0.047(4) Uani 1 1 d . . . . .
H14D H -0.2757 -0.2956 0.2119 0.056 Uiso 1 1 calc R U . . .
C15D C -0.3145(9) -0.3839(10) 0.2357(8) 0.058(5) Uani 1 1 d . . . . .
H15D H -0.3133 -0.4087 0.2021 0.069 Uiso 1 1 calc R U . . .
C16D C -0.3387(10) -0.4172(12) 0.2784(8) 0.069(6) Uani 1 1 d . . . . .
H16D H -0.3512 -0.4649 0.2753 0.083 Uiso 1 1 calc R U . . .
C17D C -0.3438(8) -0.3783(10) 0.3250(7) 0.054(5) Uani 1 1 d . . . . .
H17D H -0.3614 -0.3993 0.3538 0.065 Uiso 1 1 calc R U . . .
Pt1E Pt -0.35704(3) -0.01308(4) 0.08115(3) 0.04207(17) Uani 1 1 d . . . . .
Tl1E Tl -0.29735(3) 0.00451(5) 0.19701(3) 0.0622(2) Uani 1 1 d . . . . .
Cl1E Cl -0.24646(19) -0.0269(2) 0.08351(17) 0.0494(10) Uani 1 1 d . . . . .
N1E N -0.4520(6) 0.0000(7) 0.0752(5) 0.039(3) Uani 1 1 d . . . . .
C1E C -0.3622(8) 0.0926(8) 0.0662(6) 0.041(4) Uani 1 1 d . . . . .
C2E C -0.3168(8) 0.1388(9) 0.0560(6) 0.047(4) Uani 1 1 d . . . . .
H2E H -0.2734 0.1237 0.0588 0.056 Uiso 1 1 calc R U . . .
C3E C -0.3334(10) 0.2088(11) 0.0415(7) 0.059(5) Uani 1 1 d . . . . .
H3E H -0.3005 0.2406 0.0369 0.070 Uiso 1 1 calc R U . . .
C4E C -0.3956(9) 0.2313(10) 0.0339(7) 0.051(4) Uani 1 1 d . . . . .
H4E H -0.4069 0.2776 0.0219 0.062 Uiso 1 1 calc R U . . .
C5E C -0.4419(8) 0.1851(10) 0.0441(6) 0.047(4) Uani 1 1 d . . . . .
H5E H -0.4850 0.2012 0.0412 0.056 Uiso 1 1 calc R U . . .
C6E C -0.4278(8) 0.1166(8) 0.0584(6) 0.041(4) Uani 1 1 d . . . . .
C7E C -0.4761(7) 0.0630(9) 0.0646(6) 0.044(4) Uani 1 1 d . . . . .
C8E C -0.5408(9) 0.0735(10) 0.0587(7) 0.057(5) Uani 1 1 d . . . . .
H8E H -0.5594 0.1186 0.0514 0.068 Uiso 1 1 calc R U . . .
C9E C -0.5799(7) 0.0138(11) 0.0637(6) 0.048(4) Uani 1 1 d . . . . .
H9E H -0.6252 0.0195 0.0603 0.058 Uiso 1 1 calc R U . . .
C10E C -0.5533(9) -0.0516(11) 0.0732(7) 0.058(5) Uani 1 1 d . . . . .
H10E H -0.5798 -0.0910 0.0757 0.070 Uiso 1 1 calc R U . . .
C11E C -0.4862(7) -0.0587(8) 0.0793(6) 0.038(3) Uani 1 1 d . . . . .
C12E C -0.4491(7) -0.1236(9) 0.0877(6) 0.043(4) Uani 1 1 d . . . . .
C13E C -0.3811(6) -0.1138(8) 0.0915(5) 0.032(3) Uani 1 1 d . . . . .
C14E C -0.3453(8) -0.1767(9) 0.0984(7) 0.046(4) Uani 1 1 d . . . . .
H14E H -0.2999 -0.1741 0.1007 0.055 Uiso 1 1 calc R U . . .
C15E C -0.3735(7) -0.2446(8) 0.1021(6) 0.040(4) Uani 1 1 d . . . . .
H15E H -0.3472 -0.2853 0.1084 0.048 Uiso 1 1 calc R U . . .
C16E C -0.4408(8) -0.2488(10) 0.0962(7) 0.052(4) Uani 1 1 d . . . . .
H16E H -0.4615 -0.2927 0.0966 0.062 Uiso 1 1 calc R U . . .
C17E C -0.4764(8) -0.1879(10) 0.0897(6) 0.045(4) Uani 1 1 d . . . . .
H17E H -0.5219 -0.1908 0.0866 0.054 Uiso 1 1 calc R U . . .
Pt1F Pt 0.36302(3) 0.05928(4) 0.40850(3) 0.04498(18) Uani 1 1 d . . . . .
Tl1F Tl 0.29402(3) -0.00364(4) 0.30253(3) 0.0543(2) Uani 1 1 d . . . . .
Cl1F Cl 0.2532(2) 0.0833(2) 0.39672(17) 0.0509(10) Uani 1 1 d . . . . .
N1F N 0.4561(6) 0.0402(8) 0.4192(5) 0.045(3) Uani 1 1 d . . . . .
C1F C 0.3928(8) 0.1614(10) 0.3973(7) 0.051(4) Uani 1 1 d . . . . .
C2F C 0.3595(8) 0.2209(10) 0.3890(7) 0.051(4) Uani 1 1 d . . . . .
H2F H 0.3136 0.2202 0.3838 0.061 Uiso 1 1 calc R U . . .
C3F C 0.3916(9) 0.2842(11) 0.3877(7) 0.057(5) Uani 1 1 d . . . . .
H3F H 0.3673 0.3262 0.3823 0.068 Uiso 1 1 calc R U . . .
C4F C 0.4562(10) 0.2870(10) 0.3939(8) 0.060(5) Uani 1 1 d . . . . .
H4F H 0.4774 0.3304 0.3922 0.071 Uiso 1 1 calc R U . . .
C5F C 0.4906(9) 0.2275(11) 0.4024(7) 0.061(5) Uani 1 1 d . . . . .
H5F H 0.5362 0.2292 0.4059 0.073 Uiso 1 1 calc R U . . .
C6F C 0.4612(9) 0.1640(10) 0.4063(6) 0.048(4) Uani 1 1 d . . . . .
C7F C 0.4941(8) 0.0961(10) 0.4147(6) 0.045(4) Uani 1 1 d . . . . .
C8F C 0.5619(9) 0.0827(11) 0.4234(7) 0.056(5) Uani 1 1 d . . . . .
H8F H 0.5906 0.1206 0.4223 0.067 Uiso 1 1 calc R U . . .
C9F C 0.5856(10) 0.0206(12) 0.4327(8) 0.063(5) Uani 1 1 d . . . . .
H9F H 0.6309 0.0130 0.4378 0.076 Uiso 1 1 calc R U . . .
C10F C 0.5433(9) -0.0357(11) 0.4352(6) 0.052(4) Uani 1 1 d . . . . .
H10F H 0.5599 -0.0818 0.4402 0.063 Uiso 1 1 calc R U . . .
C11F C 0.4780(8) -0.0238(10) 0.4303(6) 0.045(4) Uani 1 1 d . . . . .
C12F C 0.4271(8) -0.0754(9) 0.4346(6) 0.048(4) Uani 1 1 d . . . . .
C13F C 0.3630(8) -0.0478(9) 0.4254(6) 0.046(4) Uani 1 1 d . . . . .
C14F C 0.3148(8) -0.0929(9) 0.4358(6) 0.044(4) Uani 1 1 d . . . . .
H14F H 0.2714 -0.0768 0.4307 0.053 Uiso 1 1 calc R U . . .
C15F C 0.3295(9) -0.1607(11) 0.4535(7) 0.058(5) Uani 1 1 d . . . . .
H15F H 0.2965 -0.1903 0.4615 0.070 Uiso 1 1 calc R U . . .
C16F C 0.3923(9) -0.1858(10) 0.4596(7) 0.054(5) Uani 1 1 d . . . . .
H16F H 0.4009 -0.2333 0.4694 0.064 Uiso 1 1 calc R U . . .
C17F C 0.4417(9) -0.1443(11) 0.4521(7) 0.057(5) Uani 1 1 d . . . . .
H17F H 0.4849 -0.1614 0.4585 0.069 Uiso 1 1 calc R U . . .
O1 O -0.0483(9) 0.0760(10) 0.0596(8) 0.109(6) Uani 1 1 d D . . . .
C18 C 0.0043(12) 0.1082(14) 0.0635(10) 0.090(8) Uani 1 1 d D . . . .
C19 C 0.0235(12) 0.1562(12) 0.1102(9) 0.084(7) Uani 1 1 d D . . . .
H19A H 0.0650 0.1777 0.1083 0.126 Uiso 1 1 calc R U . . .
H19B H 0.0278 0.1308 0.1457 0.126 Uiso 1 1 calc R U . . .
H19C H -0.0095 0.1926 0.1081 0.126 Uiso 1 1 calc R U . . .
C20 C 0.0426(12) 0.0997(15) 0.0221(10) 0.098(8) Uani 1 1 d D . . . .
H20A H 0.0816 0.1287 0.0320 0.147 Uiso 1 1 calc R U . . .
H20B H 0.0174 0.1140 -0.0147 0.147 Uiso 1 1 calc R U . . .
H20C H 0.0552 0.0507 0.0206 0.147 Uiso 1 1 calc R U . . .
O2 O 0.0324(12) -0.1333(16) 0.4983(8) 0.112(9) Uani 0.7 1 d D . P A 1
C21 C -0.0143(13) -0.1037(19) 0.4675(13) 0.098(13) Uani 0.7 1 d D . P A 1
C22 C -0.0353(12) -0.1190(16) 0.4078(11) 0.071(9) Uani 0.7 1 d D . P A 1
H22A H -0.0728 -0.0899 0.3918 0.106 Uiso 0.7 1 calc R U P A 1
H22B H -0.0475 -0.1683 0.4029 0.106 Uiso 0.7 1 calc R U P A 1
H22C H 0.0001 -0.1092 0.3886 0.106 Uiso 0.7 1 calc R U P A 1
C23B C -0.055(2) -0.063(2) 0.4940(16) 0.130(17) Uani 0.7 1 d D . P A 1
H23A H -0.0901 -0.0428 0.4654 0.194 Uiso 0.7 1 calc R U P A 1
H23B H -0.0303 -0.0259 0.5159 0.194 Uiso 0.7 1 calc R U P A 1
H23C H -0.0744 -0.0930 0.5190 0.194 Uiso 0.7 1 calc R U P A 1
O3 O -0.1727(8) 0.0392(9) -0.0132(6) 0.091(5) Uani 1 1 d . . . . .
H3A H -0.2070 0.0264 -0.0014 0.137 Uiso 1 1 d R U . . .
H3G H -0.1396 0.0402 0.0150 0.137 Uiso 1 1 d R U . . .
O4 O -0.006(5) -0.018(5) 0.491(4) 0.07(3) Uiso 0.15 1 d . . P B 2
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'
Cl Cl 0.1484 0.1585 '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 0.0060 '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
N1A Pt1A C1A 81.3(6) . .
N1A Pt1A C13A 81.3(6) . .
C1A Pt1A C13A 161.6(6) . .
N1A Pt1A Cl1A 179.3(4) . .
C1A Pt1A Cl1A 99.1(5) . .
C13A Pt1A Cl1A 98.4(5) . .
N1A Pt1A Tl1A 97.9(4) . .
C1A Pt1A Tl1A 80.9(4) . .
C13A Pt1A Tl1A 107.1(4) . .
Cl1A Pt1A Tl1A 82.79(10) . .
N1A Pt1A Tl1D 116.1(4) . .
C1A Pt1A Tl1D 110.9(5) . .
C13A Pt1A Tl1D 72.2(4) . .
Cl1A Pt1A Tl1D 63.22(10) . .
Tl1A Pt1A Tl1D 145.02(3) . .
Pt1A Tl1A Pt1B 130.67(3) . .
Pt1A Tl1A Cl1B 91.96(8) . .
Pt1B Tl1A Cl1B 44.68(8) . .
Pt1A Cl1A Tl1D 74.72(11) . .
C11A N1A C7A 124.2(13) . .
C11A N1A Pt1A 117.9(10) . .
C7A N1A Pt1A 117.8(10) . .
C2A C1A C6A 117.6(16) . .
C2A C1A Pt1A 131.8(13) . .
C6A C1A Pt1A 110.5(12) . .
C1A C2A C3A 119.8(15) . .
C4A C3A C2A 122.2(15) . .
C3A C4A C5A 116.6(16) . .
C6A C5A C4A 121.9(17) . .
C5A C6A C1A 121.4(16) . .
C5A C6A C7A 120.6(15) . .
C1A C6A C7A 117.5(15) . .
C8A C7A N1A 115.4(14) . .
C8A C7A C6A 131.9(15) . .
N1A C7A C6A 112.7(13) . .
C9A C8A C7A 124.7(16) . .
C8A C9A C10A 116.5(14) . .
C9A C10A C11A 122.7(15) . .
N1A C11A C10A 116.4(15) . .
N1A C11A C12A 113.8(12) . .
C10A C11A C12A 129.7(14) . .
C17A C12A C13A 120.6(16) . .
C17A C12A C11A 123.1(15) . .
C13A C12A C11A 116.2(13) . .
C14A C13A C12A 119.1(15) . .
C14A C13A Pt1A 130.5(12) . .
C12A C13A Pt1A 110.3(12) . .
C15A C14A C13A 118.7(16) . .
C16A C15A C14A 121.7(17) . .
C15A C16A C17A 121.2(17) . .
C12A C17A C16A 118.6(16) . .
N1B Pt1B C13B 80.8(7) . .
N1B Pt1B C1B 79.9(6) . .
C13B Pt1B C1B 160.4(6) . .
N1B Pt1B Cl1B 176.0(4) . .
C13B Pt1B Cl1B 97.5(5) . .
C1B Pt1B Cl1B 101.6(4) . .
N1B Pt1B Tl1B 100.3(4) . .
C13B Pt1B Tl1B 78.0(4) . .
C1B Pt1B Tl1B 108.7(4) . .
Cl1B Pt1B Tl1B 82.85(10) . .
N1B Pt1B Tl1A 107.4(4) . .
C13B Pt1B Tl1A 105.8(4) . .
C1B Pt1B Tl1A 77.1(4) . .
Cl1B Pt1B Tl1A 69.41(10) . .
Tl1B Pt1B Tl1A 152.24(3) . .
Pt1B Tl1B Cl1C 96.45(7) . .
Pt1B Tl1B Pt1C 139.48(3) . .
Cl1C Tl1B Pt1C 43.17(7) . .
Pt1B Cl1B Tl1A 65.91(10) . .
C11B N1B C7B 125.2(15) . .
C11B N1B Pt1B 116.4(12) . .
C7B N1B Pt1B 118.5(11) . .
C6B C1B C2B 124.2(17) . .
C6B C1B Pt1B 110.0(11) . .
C2B C1B Pt1B 125.7(14) . .
C3B C2B C1B 114.3(18) . .
C2B C3B C4B 125.6(19) . .
C5B C4B C3B 114(2) . .
C4B C5B C6B 124.1(19) . .
C1B C6B C5B 118.1(16) . .
C1B C6B C7B 121.6(17) . .
C5B C6B C7B 120.3(18) . .
C8B C7B N1B 117.8(14) . .
C8B C7B C6B 132.1(17) . .
N1B C7B C6B 110.0(15) . .
C7B C8B C9B 120.2(17) . .
C10B C9B C8B 119.9(16) . .
C9B C10B C11B 121.4(16) . .
N1B C11B C10B 115.4(16) . .
N1B C11B C12B 116.5(15) . .
C10B C11B C12B 127.8(15) . .
C17B C12B C13B 121.9(16) . .
C17B C12B C11B 124.0(15) . .
C13B C12B C11B 113.7(14) . .
C14B C13B C12B 116.6(14) . .
C14B C13B Pt1B 131.0(13) . .
C12B C13B Pt1B 112.3(12) . .
C15B C14B C13B 120.8(17) . .
C14B C15B C16B 121.4(19) . .
C15B C16B C17B 119.5(18) . .
C12B C17B C16B 119.5(17) . .
N1C Pt1C C1C 81.2(6) . .
N1C Pt1C C13C 82.1(6) . .
C1C Pt1C C13C 162.8(6) . .
N1C Pt1C Cl1C 177.6(4) . .
C1C Pt1C Cl1C 99.2(5) . .
C13C Pt1C Cl1C 97.4(4) . .
N1C Pt1C Tl1C 97.0(4) . .
C1C Pt1C Tl1C 100.6(5) . .
C13C Pt1C Tl1C 85.2(4) . .
Cl1C Pt1C Tl1C 85.33(11) . .
N1C Pt1C Tl1B 111.5(4) . .
C1C Pt1C Tl1B 71.3(5) . .
C13C Pt1C Tl1B 111.7(4) . .
Cl1C Pt1C Tl1B 66.42(10) . .
Tl1C Pt1C Tl1B 148.16(3) . .
Pt1C Tl1C Pt1D 128.67(3) . .
Pt1C Cl1C Tl1B 70.41(10) . .
C7C N1C C11C 122.6(14) . .
C7C N1C Pt1C 118.2(11) . .
C11C N1C Pt1C 119.2(11) . .
C2C C1C C6C 116.8(15) . .
C2C C1C Pt1C 133.2(13) . .
C6C C1C Pt1C 109.8(12) . .
C3C C2C C1C 122.5(17) . .
C2C C3C C4C 121.3(18) . .
C5C C4C C3C 117.5(17) . .
C4C C5C C6C 123.1(18) . .
C5C C6C C7C 125.6(17) . .
C5C C6C C1C 118.8(17) . .
C7C C6C C1C 115.6(15) . .
N1C C7C C6C 115.2(15) . .
N1C C7C C8C 119.2(16) . .
C6C C7C C8C 125.5(17) . .
C9C C8C C7C 118.1(17) . .
C10C C9C C8C 120.4(16) . .
C11C C10C C9C 119.5(16) . .
C10C C11C N1C 120.0(16) . .
C10C C11C C12C 127.6(17) . .
N1C C11C C12C 112.3(14) . .
C17C C12C C13C 117.3(16) . .
C17C C12C C11C 125.3(14) . .
C13C C12C C11C 117.3(16) . .
C14C C13C C12C 118.3(16) . .
C14C C13C Pt1C 132.3(12) . .
C12C C13C Pt1C 108.8(11) . .
C13C C14C C15C 122.1(15) . .
C14C C15C C16C 121.6(17) . .
C17C C16C C15C 116.9(17) . .
C16C C17C C12C 123.4(15) . .
N1D Pt1D C1D 80.9(7) . .
N1D Pt1D C13D 81.9(6) . .
C1D Pt1D C13D 161.7(7) . .
N1D Pt1D Cl1D 174.9(4) . .
C1D Pt1D Cl1D 98.7(5) . .
C13D Pt1D Cl1D 99.0(5) . .
N1D Pt1D Tl1C 102.8(4) . .
C1D Pt1D Tl1C 103.0(4) . .
C13D Pt1D Tl1C 75.2(4) . .
Cl1D Pt1D Tl1C 82.22(12) . .
N1D Pt1D Tl1D 97.1(4) . 1_455
C1D Pt1D Tl1D 123.5(4) . 1_455
C13D Pt1D Tl1D 64.7(4) . 1_455
Cl1D Pt1D Tl1D 78.83(12) . 1_455
Tl1C Pt1D Tl1D 131.76(3) . 1_455
Cl1A Tl1D Pt1D 86.95(8) . 1_655
Cl1A Tl1D Pt1A 42.07(7) . .
Pt1D Tl1D Pt1A 128.82(3) 1_655 .
C11D N1D C7D 121.3(14) . .
C11D N1D Pt1D 119.5(11) . .
C7D N1D Pt1D 119.2(12) . .
C2D C1D C6D 118.1(16) . .
C2D C1D Pt1D 130.9(14) . .
C6D C1D Pt1D 110.9(13) . .
C1D C2D C3D 123(2) . .
C4D C3D C2D 118(2) . .
C3D C4D C5D 120(2) . .
C6D C5D C4D 121.6(17) . .
C5D C6D C1D 120.1(17) . .
C5D C6D C7D 123.7(16) . .
C1D C6D C7D 116.2(15) . .
N1D C7D C8D 119.6(17) . .
N1D C7D C6D 112.8(15) . .
C8D C7D C6D 127.6(17) . .
C9D C8D C7D 117.4(16) . .
C8D C9D C10D 124.1(17) . .
C11D C10D C9D 116.8(18) . .
N1D C11D C10D 120.7(16) . .
N1D C11D C12D 112.5(14) . .
C10D C11D C12D 126.9(17) . .
C17D C12D C13D 119.0(15) . .
C17D C12D C11D 123.2(16) . .
C13D C12D C11D 117.6(16) . .
C14D C13D C12D 119.4(16) . .
C14D C13D Pt1D 132.0(13) . .
C12D C13D Pt1D 108.6(11) . .
C13D C14D C15D 120.2(17) . .
C14D C15D C16D 121.6(17) . .
C17D C16D C15D 118(2) . .
C12D C17D C16D 121.7(17) . .
N1E Pt1E C13E 81.6(5) . .
N1E Pt1E C1E 81.3(6) . .
C13E Pt1E C1E 162.8(6) . .
N1E Pt1E Cl1E 177.2(4) . .
C13E Pt1E Cl1E 99.4(4) . .
C1E Pt1E Cl1E 97.6(5) . .
N1E Pt1E Tl1E 106.5(3) . .
C13E Pt1E Tl1E 93.4(4) . .
C1E Pt1E Tl1E 93.1(4) . .
Cl1E Pt1E Tl1E 76.04(10) . .
C7E N1E C11E 126.1(13) . .
C7E N1E Pt1E 118.0(10) . .
C11E N1E Pt1E 115.7(10) . .
C2E C1E C6E 117.6(15) . .
C2E C1E Pt1E 131.1(13) . .
C6E C1E Pt1E 110.7(11) . .
C1E C2E C3E 120.9(16) . .
C4E C3E C2E 121.3(17) . .
C3E C4E C5E 118.2(17) . .
C6E C5E C4E 122.3(17) . .
C5E C6E C1E 119.5(16) . .
C5E C6E C7E 124.9(15) . .
C1E C6E C7E 115.5(13) . .
N1E C7E C8E 119.7(16) . .
N1E C7E C6E 114.4(13) . .
C8E C7E C6E 125.9(16) . .
C7E C8E C9E 117.2(16) . .
C10E C9E C8E 121.5(15) . .
C9E C10E C11E 118.4(17) . .
N1E C11E C10E 117.1(15) . .
N1E C11E C12E 116.2(13) . .
C10E C11E C12E 126.7(15) . .
C17E C12E C13E 122.8(16) . .
C17E C12E C11E 123.8(14) . .
C13E C12E C11E 113.4(14) . .
C14E C13E C12E 113.5(14) . .
C14E C13E Pt1E 133.3(11) . .
C12E C13E Pt1E 113.1(11) . .
C13E C14E C15E 124.0(14) . .
C16E C15E C14E 118.0(15) . .
C17E C16E C15E 118.7(16) . .
C12E C17E C16E 122.9(15) . .
N1F Pt1F C1F 82.6(7) . .
N1F Pt1F C13F 80.4(6) . .
C1F Pt1F C13F 162.9(7) . .
N1F Pt1F Cl1F 179.2(4) . .
C1F Pt1F Cl1F 96.8(5) . .
C13F Pt1F Cl1F 100.2(5) . .
N1F Pt1F Tl1F 109.7(4) . .
C1F Pt1F Tl1F 112.1(4) . .
C13F Pt1F Tl1F 75.5(4) . .
Cl1F Pt1F Tl1F 71.07(10) . .
Pt1F Tl1F Cl1F 45.13(8) . .
Pt1F Cl1F Tl1F 63.80(10) . .
C11F N1F C7F 124.3(14) . .
C11F N1F Pt1F 120.0(11) . .
C7F N1F Pt1F 115.7(12) . .
C2F C1F C6F 118.7(17) . .
C2F C1F Pt1F 131.1(13) . .
C6F C1F Pt1F 109.8(13) . .
C1F C2F C3F 120.3(16) . .
C4F C3F C2F 121.4(18) . .
C3F C4F C5F 119.1(19) . .
C4F C5F C6F 121.5(18) . .
C5F C6F C1F 118.8(18) . .
C5F C6F C7F 125.8(16) . .
C1F C6F C7F 115.2(15) . .
N1F C7F C8F 116.0(17) . .
N1F C7F C6F 116.2(15) . .
C8F C7F C6F 127.6(16) . .
C9F C8F C7F 122.1(19) . .
C8F C9F C10F 119.1(19) . .
C11F C10F C9F 120.1(18) . .
N1F C11F C10F 118.3(16) . .
N1F C11F C12F 114.0(14) . .
C10F C11F C12F 127.7(18) . .
C17F C12F C13F 122.6(17) . .
C17F C12F C11F 122.3(16) . .
C13F C12F C11F 114.8(15) . .
C14F C13F C12F 116.4(16) . .
C14F C13F Pt1F 132.3(13) . .
C12F C13F Pt1F 110.8(12) . .
C15F C14F C13F 120.9(17) . .
C14F C15F C16F 120.3(19) . .
C17F C16F C15F 121.9(19) . .
C16F C17F C12F 117.8(18) . .
O1 C18 C20 121(2) . .
O1 C18 C19 118(2) . .
C20 C18 C19 121(2) . .
O2 C21 C23B 117(3) . .
O2 C21 C22 123(2) . .
C23B C21 C22 118(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1A N1A 1.971(12) .
Pt1A C1A 2.057(18) .
Pt1A C13A 2.094(16) .
Pt1A Cl1A 2.337(4) .
Pt1A Tl1A 2.9044(9) .
Pt1A Tl1D 3.3644(9) .
Tl1A Pt1B 3.0376(9) .
Tl1A Cl1B 3.115(4) .
Cl1A Tl1D 3.114(4) .
N1A C11A 1.361(18) .
N1A C7A 1.372(19) .
C1A C2A 1.39(2) .
C1A C6A 1.42(2) .
C2A C3A 1.44(2) .
C3A C4A 1.40(2) .
C4A C5A 1.41(2) .
C5A C6A 1.39(2) .
C6A C7A 1.44(2) .
C7A C8A 1.37(2) .
C8A C9A 1.35(2) .
C9A C10A 1.37(2) .
C10A C11A 1.39(2) .
C11A C12A 1.47(2) .
C12A C17A 1.37(2) .
C12A C13A 1.42(2) .
C13A C14A 1.39(2) .
C14A C15A 1.38(2) .
C15A C16A 1.36(2) .
C16A C17A 1.38(2) .
Pt1B N1B 1.978(15) .
Pt1B C13B 2.064(15) .
Pt1B C1B 2.132(16) .
Pt1B Cl1B 2.340(4) .
Pt1B Tl1B 2.9906(9) .
Tl1B Cl1C 3.125(4) .
Tl1B Pt1C 3.2124(9) .
N1B C11B 1.35(2) .
N1B C7B 1.39(2) .
C1B C6B 1.31(2) .
C1B C2B 1.40(2) .
C2B C3B 1.38(3) .
C3B C4B 1.42(3) .
C4B C5B 1.35(2) .
C5B C6B 1.41(2) .
C6B C7B 1.47(2) .
C7B C8B 1.36(2) .
C8B C9B 1.40(2) .
C9B C10B 1.37(2) .
C10B C11B 1.42(2) .
C11B C12B 1.44(2) .
C12B C17B 1.35(2) .
C12B C13B 1.43(2) .
C13B C14B 1.39(2) .
C14B C15B 1.35(3) .
C15B C16B 1.38(3) .
C16B C17B 1.38(3) .
Pt1C N1C 1.955(12) .
Pt1C C1C 2.068(17) .
Pt1C C13C 2.091(17) .
Pt1C Cl1C 2.333(4) .
Pt1C Tl1C 2.8882(9) .
Tl1C Pt1D 2.9883(10) .
N1C C7C 1.35(2) .
N1C C11C 1.37(2) .
C1C C2C 1.39(2) .
C1C C6C 1.47(2) .
C2C C3C 1.37(3) .
C3C C4C 1.41(2) .
C4C C5C 1.38(3) .
C5C C6C 1.39(2) .
C6C C7C 1.41(2) .
C7C C8C 1.41(2) .
C8C C9C 1.40(3) .
C9C C10C 1.40(2) .
C10C C11C 1.36(2) .
C11C C12C 1.47(2) .
C12C C17C 1.39(2) .
C12C C13C 1.45(2) .
C13C C14C 1.34(2) .
C14C C15C 1.37(2) .
C15C C16C 1.39(2) .
C16C C17C 1.37(2) .
Pt1D N1D 1.950(13) .
Pt1D C1D 2.076(18) .
Pt1D C13D 2.111(16) .
Pt1D Cl1D 2.323(4) .
Pt1D Tl1D 3.2309(9) 1_455
Tl1D Pt1D 3.2309(9) 1_655
N1D C11D 1.36(2) .
N1D C7D 1.37(2) .
C1D C2D 1.40(3) .
C1D C6D 1.43(2) .
C2D C3D 1.41(3) .
C3D C4D 1.40(3) .
C4D C5D 1.43(3) .
C5D C6D 1.36(3) .
C6D C7D 1.45(3) .
C7D C8D 1.40(3) .
C8D C9D 1.36(3) .
C9D C10D 1.39(3) .
C10D C11D 1.38(2) .
C11D C12D 1.48(2) .
C12D C17D 1.36(3) .
C12D C13D 1.44(2) .
C13D C14D 1.36(2) .
C14D C15D 1.37(2) .
C15D C16D 1.41(3) .
C16D C17D 1.38(3) .
Pt1E N1E 1.996(13) .
Pt1E C13E 2.027(15) .
Pt1E C1E 2.058(16) .
Pt1E Cl1E 2.340(4) .
Pt1E Tl1E 2.8563(9) .
N1E C7E 1.32(2) .
N1E C11E 1.352(19) .
C1E C2E 1.37(2) .
C1E C6E 1.43(2) .
C2E C3E 1.41(3) .
C3E C4E 1.36(3) .
C4E C5E 1.38(2) .
C5E C6E 1.38(2) .
C6E C7E 1.48(2) .
C7E C8E 1.36(2) .
C8E C9E 1.43(3) .
C9E C10E 1.37(3) .
C10E C11E 1.40(2) .
C11E C12E 1.46(2) .
C12E C17E 1.37(2) .
C12E C13E 1.43(2) .
C13E C14E 1.42(2) .
C14E C15E 1.44(2) .
C15E C16E 1.40(2) .
C16E C17E 1.38(2) .
Pt1F N1F 1.963(13) .
Pt1F C1F 2.092(19) .
Pt1F C13F 2.094(18) .
Pt1F Cl1F 2.323(4) .
Pt1F Tl1F 2.9409(9) .
Tl1F Cl1F 3.100(4) .
N1F C11F 1.32(2) .
N1F C7F 1.36(2) .
C1F C2F 1.33(3) .
C1F C6F 1.42(2) .
C2F C3F 1.40(3) .
C3F C4F 1.34(3) .
C4F C5F 1.35(3) .
C5F C6F 1.38(3) .
C6F C7F 1.47(2) .
C7F C8F 1.43(2) .
C8F C9F 1.29(3) .
C9F C10F 1.41(3) .
C10F C11F 1.38(2) .
C11F C12F 1.48(2) .
C12F C17F 1.40(3) .
C12F C13F 1.43(2) .
C13F C14F 1.40(2) .
C14F C15F 1.38(3) .
C15F C16F 1.39(2) .
C16F C17F 1.35(3) .
O1 C18 1.26(3) .
C18 C20 1.43(3) .
C18 C19 1.45(3) .
O2 C21 1.24(3) .
C21 C23B 1.42(3) .
C21 C22 1.46(3) .
O4 O4 0.82(17) 3_556
