#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:45:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179422 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/19/4331958.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4331958
loop_
_publ_author_name
'Chen, Wanzhi'
'Liu, Fenghui'
'Xu, Duanjun'
'Matsumoto, Kazuko'
'Kishi, Shinobu'
'Kato, Masako'
_publ_section_title
;
 Luminescent Amidate-Bridged One-Dimensional
 Platinum(II)−Thallium(I) Coordination Polymers Assembled via
 Metallophilic Attraction
;
_journal_issue                   14
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5552
_journal_page_last               5560
_journal_paper_doi               10.1021/ic051932c
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C32 H68 F12 N8 O4 P2 Pt2 Tl2'
_chemical_formula_weight         1717.80
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.386(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.291(2)
_cell_length_b                   17.955(4)
_cell_length_c                   12.984(3)
_cell_measurement_temperature    123(2)
_cell_volume                     2571.0(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_sigmaI/netI    0.0582
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15302
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    11.819
_exptl_absorpt_correction_T_max  0.2248
_exptl_absorpt_correction_T_min  0.1004
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow?
_exptl_crystal_density_diffrn    2.219
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.185
_refine_diff_density_min         -1.273
_refine_diff_density_rms         0.197
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.018(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     537
_refine_ls_number_reflns         8325
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0387P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0749
_refine_ls_wR_factor_ref         0.0767
_reflns_number_gt                7623
_reflns_number_total             8325
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051932csup1.cif
_cod_data_source_block           pt2tl
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               4331958
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Tl1 Tl 0.17231(3) 0.33189(2) 0.35848(3) 0.02062(10) Uani 1 1 d .
Tl2 Tl -0.31965(3) 0.25064(2) 0.39296(3) 0.01966(9) Uani 1 1 d .
Pt1 Pt 0.43479(3) 0.303503(19) 0.38791(3) 0.01580(9) Uani 1 1 d .
Pt2 Pt -0.08004(3) 0.289620(16) 0.35950(3) 0.01544(9) Uani 1 1 d .
P1 P 0.0353(3) 0.4175(2) 0.0689(3) 0.0376(8) Uani 1 1 d .
P2 P 0.7158(3) 0.04928(17) 0.5202(3) 0.0409(8) Uani 1 1 d .
F1 F -0.0085(8) 0.4951(5) 0.0195(9) 0.085(4) Uani 1 1 d .
F2 F -0.0899(7) 0.3789(6) 0.0149(7) 0.074(3) Uani 1 1 d .
F3 F -0.0217(7) 0.4340(4) 0.1698(7) 0.055(2) Uani 1 1 d .
F4 F 0.0789(7) 0.3390(4) 0.1240(7) 0.053(2) Uani 1 1 d .
F5 F 0.1592(7) 0.4529(5) 0.1275(7) 0.061(2) Uani 1 1 d .
F6 F 0.0940(7) 0.3972(5) -0.0276(6) 0.064(2) Uani 1 1 d .
F7 F 0.7844(6) 0.0852(4) 0.4372(7) 0.052(2) Uani 1 1 d .
F8 F 0.5947(7) 0.0916(5) 0.4650(8) 0.069(3) Uani 1 1 d .
F9 F 0.7478(9) 0.1193(5) 0.5948(8) 0.082(3) Uani 1 1 d .
F10 F 0.6795(10) -0.0185(5) 0.4475(10) 0.092(4) Uani 1 1 d .
F11 F 0.8341(8) 0.0083(7) 0.5768(11) 0.111(5) Uani 1 1 d .
F12 F 0.6437(7) 0.0116(5) 0.5990(8) 0.065(3) Uani 1 1 d .
O1 O 0.2019(6) 0.1932(4) 0.2869(6) 0.0242(16) Uani 1 1 d .
O2 O 0.1775(6) 0.2607(4) 0.5436(6) 0.0281(17) Uani 1 1 d .
O3 O -0.2515(5) 0.3775(4) 0.4871(6) 0.0259(17) Uani 1 1 d .
O4 O 0.5930(5) 0.3152(4) 0.2118(5) 0.0203(15) Uani 1 1 d .
N1 N 0.3847(6) 0.2313(5) 0.2687(6) 0.0193(18) Uani 1 1 d .
H1 H 0.4373 0.2262 0.2280 0.023 Uiso 1 1 calc R
N2 N 0.4595(7) 0.3805(5) 0.2827(7) 0.0201(18) Uani 1 1 d .
H2 H 0.4243 0.4240 0.2843 0.024 Uiso 1 1 calc R
N3 N 0.5013(7) 0.3711(5) 0.5157(7) 0.0224(19) Uani 1 1 d .
H3D H 0.5808 0.3832 0.5167 0.027 Uiso 1 1 calc R
H3E H 0.4572 0.4145 0.5100 0.027 Uiso 1 1 calc R
N4 N 0.4207(7) 0.2269(5) 0.5039(7) 0.0222(18) Uani 1 1 d .
H4D H 0.3431 0.2266 0.5154 0.027 Uiso 1 1 calc R
H4E H 0.4386 0.1798 0.4836 0.027 Uiso 1 1 calc R
N5 N -0.0224(7) 0.2847(5) 0.5171(6) 0.0228(19) Uani 1 1 d .
H5 H -0.0809 0.2889 0.5519 0.027 Uiso 1 1 calc R
N6 N -0.1229(7) 0.3976(5) 0.3791(7) 0.0237(19) Uani 1 1 d .
H6 H -0.0910 0.4312 0.3438 0.028 Uiso 1 1 calc RD
N7 N -0.1532(6) 0.2911(4) 0.2013(6) 0.0167(17) Uani 1 1 d .
H7A H -0.2349 0.3009 0.1902 0.020 Uiso 1 1 calc R
H7B H -0.1176 0.3283 0.1698 0.020 Uiso 1 1 calc R
N8 N -0.0458(6) 0.1788(4) 0.3306(7) 0.0192(18) Uani 1 1 d .
H8D H 0.0319 0.1734 0.3204 0.023 Uiso 1 1 calc R
H8E H -0.0542 0.1496 0.3868 0.023 Uiso 1 1 calc R
C1 C 0.2875(8) 0.1907(6) 0.2413(8) 0.020(2) Uani 1 1 d .
C2 C 0.2787(9) 0.1382(7) 0.1446(9) 0.027(2) Uani 1 1 d .
C3 C 0.1680(11) 0.1607(7) 0.0591(10) 0.039(3) Uani 1 1 d .
H3A H 0.1685 0.1331 -0.0059 0.059 Uiso 1 1 d R
H3B H 0.1715 0.2143 0.0455 0.059 Uiso 1 1 d R
H3C H 0.0936 0.1493 0.0833 0.059 Uiso 1 1 d R
C4 C 0.3903(12) 0.1398(10) 0.0945(13) 0.064(5) Uani 1 1 d .
H4A H 0.4637 0.1324 0.1494 0.096 Uiso 1 1 d R
H4B H 0.3944 0.1881 0.0604 0.096 Uiso 1 1 d R
H4C H 0.3839 0.1000 0.0419 0.096 Uiso 1 1 d R
C5 C 0.2636(12) 0.0593(7) 0.1828(12) 0.047(3) Uani 1 1 d .
H5A H 0.2547 0.0246 0.1234 0.071 Uiso 1 1 d R
H5B H 0.1913 0.0569 0.2131 0.071 Uiso 1 1 d R
H5C H 0.3353 0.0458 0.2367 0.071 Uiso 1 1 d R
C6 C 0.5263(8) 0.3699(6) 0.2101(8) 0.022(2) Uani 1 1 d .
C7 C 0.5170(9) 0.4271(7) 0.1185(10) 0.032(3) Uani 1 1 d .
C8 C 0.6379(10) 0.4356(8) 0.0903(11) 0.044(4) Uani 1 1 d .
H8A H 0.6707 0.3863 0.0799 0.066 Uiso 1 1 d R
H8B H 0.6935 0.4616 0.1474 0.066 Uiso 1 1 d R
H8C H 0.6287 0.4646 0.0251 0.066 Uiso 1 1 d R
C9 C 0.4692(12) 0.5038(7) 0.1450(12) 0.047(4) Uani 1 1 d .
H9A H 0.5210 0.5229 0.2099 0.070 Uiso 1 1 d R
H9B H 0.3859 0.4987 0.1548 0.070 Uiso 1 1 d R
H9C H 0.4706 0.5385 0.0870 0.070 Uiso 1 1 d R
C10 C 0.4244(12) 0.3922(9) 0.0266(10) 0.050(4) Uani 1 1 d .
H10A H 0.4241 0.4201 -0.0383 0.075 Uiso 1 1 calc R
H10B H 0.3434 0.3940 0.0425 0.075 Uiso 1 1 calc R
H10C H 0.4467 0.3403 0.0172 0.075 Uiso 1 1 calc R
C11 C 0.4939(8) 0.3326(6) 0.6148(8) 0.024(2) Uani 1 1 d .
H11 H 0.4105 0.3411 0.6272 0.029 Uiso 1 1 calc R
C12 C 0.5089(8) 0.2494(6) 0.6022(8) 0.025(2) Uani 1 1 d .
H12 H 0.5920 0.2414 0.5890 0.030 Uiso 1 1 calc R
C13 C 0.5010(11) 0.2051(8) 0.6983(9) 0.038(3) Uani 1 1 d .
H13A H 0.5191 0.1522 0.6868 0.046 Uiso 1 1 calc R
H13B H 0.4175 0.2080 0.7104 0.046 Uiso 1 1 calc R
C14 C 0.5904(12) 0.2343(9) 0.7955(10) 0.052(4) Uani 1 1 d .
H14A H 0.5760 0.2086 0.8591 0.062 Uiso 1 1 calc R
H14B H 0.6742 0.2230 0.7888 0.062 Uiso 1 1 calc R
C15 C 0.5778(12) 0.3153(10) 0.8082(9) 0.058(4) Uani 1 1 d .
H15A H 0.6428 0.3321 0.8674 0.070 Uiso 1 1 calc R
H15B H 0.4993 0.3249 0.8282 0.070 Uiso 1 1 calc R
C16 C 0.5834(11) 0.3632(8) 0.7097(9) 0.042(3) Uani 1 1 d .
H16A H 0.5630 0.4156 0.7222 0.050 Uiso 1 1 calc R
H16B H 0.6664 0.3619 0.6963 0.050 Uiso 1 1 calc R
C17 C 0.0856(9) 0.2763(6) 0.5780(8) 0.022(2) Uani 1 1 d .
C18 C 0.0961(10) 0.2887(7) 0.6979(8) 0.031(3) Uani 1 1 d .
C19 C -0.0234(13) 0.2995(11) 0.7297(10) 0.069(3) Uani 1 1 d .
H19A H -0.0776 0.2581 0.7020 0.104 Uiso 1 1 d R
H19B H -0.0604 0.3465 0.7010 0.104 Uiso 1 1 d R
H19C H -0.0102 0.3004 0.8068 0.104 Uiso 1 1 d R
C20 C 0.1711(13) 0.3585(11) 0.7269(11) 0.069(3) Uani 1 1 d .
H20A H 0.1645 0.3754 0.7972 0.104 Uiso 1 1 d R
H20B H 0.1411 0.3976 0.6751 0.104 Uiso 1 1 d R
H20C H 0.2562 0.3479 0.7267 0.104 Uiso 1 1 d R
C21 C 0.1589(13) 0.2224(11) 0.7592(11) 0.069(3) Uani 1 1 d .
H21A H 0.1881 0.2364 0.8333 0.104 Uiso 1 1 d R
H21B H 0.2277 0.2072 0.7292 0.104 Uiso 1 1 d R
H21C H 0.1016 0.1809 0.7546 0.104 Uiso 1 1 d R
C22 C -0.1947(8) 0.4220(6) 0.4402(8) 0.024(2) Uani 1 1 d .
C23 C -0.1973(9) 0.5038(6) 0.4647(10) 0.028(2) Uani 1 1 d .
C24 C -0.1508(16) 0.5539(9) 0.3906(18) 0.084(4) Uani 1 1 d .
H24A H -0.0633 0.5611 0.4157 0.127 Uiso 1 1 calc R
H24B H -0.1920 0.6022 0.3873 0.127 Uiso 1 1 calc R
H24C H -0.1666 0.5314 0.3202 0.127 Uiso 1 1 calc RD
C25 C -0.1195(15) 0.5145(9) 0.5712(17) 0.084(4) Uani 1 1 d .
H25A H -0.0454 0.4847 0.5798 0.127 Uiso 1 1 d R
H25B H -0.1656 0.4990 0.6235 0.127 Uiso 1 1 d R
H25C H -0.0982 0.5673 0.5814 0.127 Uiso 1 1 d R
C26 C -0.3233(15) 0.5243(9) 0.4733(18) 0.084(4) Uani 1 1 d .
H26A H -0.3291 0.5784 0.4803 0.127 Uiso 1 1 d R
H26B H -0.3433 0.5000 0.5350 0.127 Uiso 1 1 d R
H26C H -0.3802 0.5078 0.4094 0.127 Uiso 1 1 d R
C27 C -0.1338(9) 0.2170(5) 0.1519(8) 0.017(2) Uani 1 1 d .
H27 H -0.0509 0.2176 0.1360 0.021 Uiso 1 1 calc R
C28 C -0.1357(8) 0.1563(5) 0.2337(7) 0.0154(19) Uani 1 1 d .
H28 H -0.2177 0.1572 0.2513 0.018 Uiso 1 1 calc R
C29 C -0.1176(9) 0.0797(6) 0.1924(9) 0.027(2) Uani 1 1 d .
H29A H -0.1254 0.0418 0.2460 0.032 Uiso 1 1 calc R
H29B H -0.0352 0.0757 0.1780 0.032 Uiso 1 1 calc R
C30 C -0.2115(10) 0.0654(6) 0.0920(10) 0.032(3) Uani 1 1 d .
H30A H -0.1979 0.0156 0.0641 0.039 Uiso 1 1 calc R
H30B H -0.2935 0.0659 0.1078 0.039 Uiso 1 1 calc R
C31 C -0.2050(10) 0.1233(6) 0.0100(9) 0.031(3) Uani 1 1 d .
H31A H -0.2680 0.1129 -0.0541 0.037 Uiso 1 1 calc R
H31B H -0.1249 0.1205 -0.0092 0.037 Uiso 1 1 calc R
C32 C -0.2238(9) 0.2024(6) 0.0498(9) 0.027(2) Uani 1 1 d .
H32A H -0.2127 0.2395 -0.0038 0.033 Uiso 1 1 calc R
H32B H -0.3074 0.2074 0.0612 0.033 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 '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'
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
O1 Tl1 O2 83.7(2) . .
O1 Tl1 Pt1 71.98(13) . .
O2 Tl1 Pt1 88.49(13) . .
O1 Tl1 Pt2 87.43(13) . .
O2 Tl1 Pt2 73.27(14) . .
Pt1 Tl1 Pt2 154.021(18) . .
O4 Tl2 O3 92.9(2) 1_455 .
O4 Tl2 Pt2 86.71(13) 1_455 .
O3 Tl2 Pt2 70.84(14) . .
O4 Tl2 Pt1 70.29(13) 1_455 1_455
O3 Tl2 Pt1 84.86(13) . 1_455
Pt2 Tl2 Pt1 145.698(18) . 1_455
N2 Pt1 N1 88.7(3) . .
N2 Pt1 N3 93.6(3) . .
N1 Pt1 N3 174.2(3) . .
N2 Pt1 N4 175.8(3) . .
N1 Pt1 N4 94.5(3) . .
N3 Pt1 N4 83.0(3) . .
N2 Pt1 Tl2 88.2(2) . 1_655
N1 Pt1 Tl2 85.2(2) . 1_655
N3 Pt1 Tl2 89.6(2) . 1_655
N4 Pt1 Tl2 89.3(2) . 1_655
N2 Pt1 Tl1 94.3(2) . .
N1 Pt1 Tl1 84.4(2) . .
N3 Pt1 Tl1 100.7(2) . .
N4 Pt1 Tl1 88.7(2) . .
Tl2 Pt1 Tl1 169.239(16) 1_655 .
N5 Pt2 N6 87.1(4) . .
N5 Pt2 N7 174.9(3) . .
N6 Pt2 N7 93.3(3) . .
N5 Pt2 N8 96.3(3) . .
N6 Pt2 N8 176.1(3) . .
N7 Pt2 N8 83.2(3) . .
N5 Pt2 Tl2 86.9(2) . .
N6 Pt2 Tl2 87.5(2) . .
N7 Pt2 Tl2 88.0(2) . .
N8 Pt2 Tl2 90.7(2) . .
N5 Pt2 Tl1 85.1(2) . .
N6 Pt2 Tl1 90.7(2) . .
N7 Pt2 Tl1 100.1(2) . .
N8 Pt2 Tl1 91.6(2) . .
Tl2 Pt2 Tl1 171.839(18) . .
F1 P1 F5 90.4(5) . .
F1 P1 F6 91.7(6) . .
F5 P1 F6 89.8(4) . .
F1 P1 F2 92.0(5) . .
F5 P1 F2 177.0(5) . .
F6 P1 F2 92.0(5) . .
F1 P1 F3 91.3(5) . .
F5 P1 F3 90.1(5) . .
F6 P1 F3 177.0(5) . .
F2 P1 F3 88.1(5) . .
F1 P1 F4 177.6(6) . .
F5 P1 F4 89.1(5) . .
F6 P1 F4 90.6(5) . .
F2 P1 F4 88.5(5) . .
F3 P1 F4 86.4(4) . .
F10 P2 F11 90.2(8) . .
F10 P2 F9 177.8(6) . .
F11 P2 F9 91.5(7) . .
F10 P2 F12 87.3(5) . .
F11 P2 F12 90.0(6) . .
F9 P2 F12 91.4(5) . .
F10 P2 F7 90.5(5) . .
F11 P2 F7 91.1(5) . .
F9 P2 F7 90.7(5) . .
F12 P2 F7 177.6(6) . .
F10 P2 F8 90.6(6) . .
F11 P2 F8 178.7(7) . .
F9 P2 F8 87.6(6) . .
F12 P2 F8 89.1(5) . .
F7 P2 F8 89.8(5) . .
C1 O1 Tl1 111.4(6) . .
C17 O2 Tl1 110.5(6) . .
C22 O3 Tl2 117.1(6) . .
C6 O4 Tl2 118.6(6) . 1_655
C1 N1 Pt1 130.9(7) . .
C1 N1 H1 114.6 . .
Pt1 N1 H1 114.6 . .
C6 N2 Pt1 124.3(7) . .
C6 N2 H2 117.9 . .
Pt1 N2 H2 117.9 . .
C11 N3 Pt1 110.2(6) . .
C11 N3 H3D 109.6 . .
Pt1 N3 H3D 109.6 . .
C11 N3 H3E 109.6 . .
Pt1 N3 H3E 109.6 . .
H3D N3 H3E 108.1 . .
C12 N4 Pt1 107.4(6) . .
C12 N4 H4D 110.2 . .
Pt1 N4 H4D 110.2 . .
C12 N4 H4E 110.2 . .
Pt1 N4 H4E 110.2 . .
H4D N4 H4E 108.5 . .
C17 N5 Pt2 132.4(7) . .
C17 N5 H5 113.8 . .
Pt2 N5 H5 113.8 . .
C22 N6 Pt2 125.8(7) . .
C22 N6 H6 117.1 . .
Pt2 N6 H6 117.1 . .
C27 N7 Pt2 110.6(6) . .
C27 N7 H7A 109.5 . .
Pt2 N7 H7A 109.5 . .
C27 N7 H7B 109.5 . .
Pt2 N7 H7B 109.5 . .
H7A N7 H7B 108.1 . .
C28 N8 Pt2 107.0(6) . .
C28 N8 H8D 110.3 . .
Pt2 N8 H8D 110.3 . .
C28 N8 H8E 110.3 . .
Pt2 N8 H8E 110.3 . .
H8D N8 H8E 108.6 . .
O1 C1 N1 123.2(9) . .
O1 C1 C2 119.1(8) . .
N1 C1 C2 117.6(8) . .
C5 C2 C4 108.4(11) . .
C5 C2 C3 110.5(10) . .
C4 C2 C3 107.6(11) . .
C5 C2 C1 107.0(10) . .
C4 C2 C1 114.5(9) . .
C3 C2 C1 108.9(9) . .
C2 C3 H3A 109.6 . .
C2 C3 H3B 109.3 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.4 . .
C2 C4 H4B 109.4 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.7 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C5 H5A 109.7 . .
C2 C5 H5B 109.6 . .
H5A C5 H5B 109.5 . .
C2 C5 H5C 109.2 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O4 C6 N2 122.2(9) . .
O4 C6 C7 118.6(9) . .
N2 C6 C7 119.2(9) . .
C8 C7 C10 110.9(11) . .
C8 C7 C9 110.2(10) . .
C10 C7 C9 108.9(10) . .
C8 C7 C6 109.8(9) . .
C10 C7 C6 104.2(10) . .
C9 C7 C6 112.8(10) . .
C7 C8 H8A 109.4 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.4 . .
C7 C9 H9B 109.7 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.4 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N3 C11 C12 109.8(8) . .
N3 C11 C16 112.6(9) . .
C12 C11 C16 111.9(9) . .
N3 C11 H11 107.4 . .
C12 C11 H11 107.4 . .
C16 C11 H11 107.4 . .
N4 C12 C13 114.8(9) . .
N4 C12 C11 106.8(8) . .
C13 C12 C11 113.9(10) . .
N4 C12 H12 107.0 . .
C13 C12 H12 107.0 . .
C11 C12 H12 107.0 . .
C12 C13 C14 111.0(11) . .
C12 C13 H13A 109.4 . .
C14 C13 H13A 109.4 . .
C12 C13 H13B 109.4 . .
C14 C13 H13B 109.4 . .
H13A C13 H13B 108.0 . .
C15 C14 C13 111.6(11) . .
C15 C14 H14A 109.3 . .
C13 C14 H14A 109.3 . .
C15 C14 H14B 109.3 . .
C13 C14 H14B 109.3 . .
H14A C14 H14B 108.0 . .
C14 C15 C16 115.6(12) . .
C14 C15 H15A 108.4 . .
C16 C15 H15A 108.4 . .
C14 C15 H15B 108.4 . .
C16 C15 H15B 108.4 . .
H15A C15 H15B 107.4 . .
C11 C16 C15 109.3(10) . .
C11 C16 H16A 109.8 . .
C15 C16 H16A 109.8 . .
C11 C16 H16B 109.8 . .
C15 C16 H16B 109.8 . .
H16A C16 H16B 108.3 . .
O2 C17 N5 123.2(10) . .
O2 C17 C18 120.1(9) . .
N5 C17 C18 116.6(9) . .
C19 C18 C20 108.2(11) . .
C19 C18 C21 107.5(11) . .
C20 C18 C21 110.1(11) . .
C19 C18 C17 114.5(9) . .
C20 C18 C17 106.7(9) . .
C21 C18 C17 109.8(9) . .
C18 C19 H19A 109.1 . .
C18 C19 H19B 109.8 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.7 . .
C18 C20 H20B 109.2 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C18 C21 H21A 109.6 . .
C18 C21 H21B 109.3 . .
H21A C21 H21B 109.5 . .
C18 C21 H21C 109.6 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
O3 C22 N6 121.2(10) . .
O3 C22 C23 118.9(9) . .
N6 C22 C23 119.5(9) . .
C25 C23 C26 106.3(13) . .
C25 C23 C22 106.8(10) . .
C26 C23 C22 108.5(9) . .
C25 C23 C24 107.6(13) . .
C26 C23 C24 111.8(12) . .
C22 C23 C24 115.3(11) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 110.8 . .
C23 C25 H25B 108.2 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.3 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C23 C26 H26A 109.5 . .
C23 C26 H26B 110.0 . .
H26A C26 H26B 109.5 . .
C23 C26 H26C 108.9 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C32 C27 N7 113.1(8) . .
C32 C27 C28 112.4(8) . .
N7 C27 C28 107.9(8) . .
C32 C27 H27 107.7 . .
N7 C27 H27 107.7 . .
C28 C27 H27 107.7 . .
N8 C28 C29 115.3(8) . .
N8 C28 C27 106.6(7) . .
C29 C28 C27 112.4(8) . .
N8 C28 H28 107.4 . .
C29 C28 H28 107.4 . .
C27 C28 H28 107.4 . .
C28 C29 C30 109.7(8) . .
C28 C29 H29A 109.7 . .
C30 C29 H29A 109.7 . .
C28 C29 H29B 109.7 . .
C30 C29 H29B 109.7 . .
H29A C29 H29B 108.2 . .
C31 C30 C29 111.2(9) . .
C31 C30 H30A 109.4 . .
C29 C30 H30A 109.4 . .
C31 C30 H30B 109.4 . .
C29 C30 H30B 109.4 . .
H30A C30 H30B 108.0 . .
C30 C31 C32 111.7(9) . .
C30 C31 H31A 109.3 . .
C32 C31 H31A 109.3 . .
C30 C31 H31B 109.3 . .
C32 C31 H31B 109.3 . .
H31A C31 H31B 107.9 . .
C27 C32 C31 109.8(9) . .
C27 C32 H32A 109.7 . .
C31 C32 H32A 109.7 . .
C27 C32 H32B 109.7 . .
C31 C32 H32B 109.7 . .
H32A C32 H32B 108.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tl1 O1 2.704(7) .
Tl1 O2 2.711(7) .
Tl1 Pt1 2.9502(8) .
Tl1 Pt2 2.9515(7) .
Tl2 O4 2.618(7) 1_455
Tl2 O3 2.621(7) .
Tl2 Pt2 2.9159(7) .
Tl2 Pt1 2.9180(7) 1_455
Pt1 N2 2.004(8) .
Pt1 N1 2.005(8) .
Pt1 N3 2.063(8) .
Pt1 N4 2.071(8) .
Pt1 Tl2 2.9180(7) 1_655
Pt2 N5 2.012(8) .
Pt2 N6 2.027(8) .
Pt2 N7 2.043(8) .
Pt2 N8 2.077(8) .
P1 F1 1.570(9) .
P1 F5 1.576(8) .
P1 F6 1.580(9) .
P1 F2 1.595(8) .
P1 F3 1.607(9) .
P1 F4 1.608(8) .
P2 F10 1.540(11) .
P2 F11 1.563(9) .
P2 F9 1.581(10) .
P2 F12 1.590(8) .
P2 F7 1.592(8) .
P2 F8 1.594(8) .
O1 C1 1.238(11) .
O2 C17 1.246(12) .
O3 C22 1.260(12) .
O4 C6 1.235(12) .
O4 Tl2 2.618(7) 1_655
N1 C1 1.302(12) .
N1 H1 0.8800 .
N2 C6 1.341(13) .
N2 H2 0.8800 .
N3 C11 1.479(13) .
N3 H3D 0.9200 .
N3 H3E 0.9200 .
N4 C12 1.496(12) .
N4 H4D 0.9200 .
N4 H4E 0.9200 .
N5 C17 1.312(12) .
N5 H5 0.8800 .
N6 C22 1.325(13) .
N6 H6 0.8800 .
N7 C27 1.513(12) .
N7 H7A 0.9200 .
N7 H7B 0.9200 .
N8 C28 1.492(11) .
N8 H8D 0.9200 .
N8 H8E 0.9200 .
C1 C2 1.556(14) .
C2 C5 1.521(18) .
C2 C4 1.537(16) .
C2 C3 1.538(15) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.558(14) .
C7 C8 1.495(14) .
C7 C10 1.541(18) .
C7 C9 1.544(17) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.516(16) .
C11 C16 1.519(14) .
C11 H11 1.0000 .
C12 C13 1.498(15) .
C12 H12 1.0000 .
C13 C14 1.530(17) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.47(2) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.554(19) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.552(13) .
C18 C19 1.506(17) .
C18 C20 1.51(2) .
C18 C21 1.52(2) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.504(15) .
C23 C25 1.48(2) .
C23 C26 1.496(18) .
C23 C24 1.49(2) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C32 1.510(13) .
C27 C28 1.526(13) .
C27 H27 1.0000 .
C28 C29 1.506(13) .
C28 H28 1.0000 .
C29 C30 1.516(15) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.500(17) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.542(15) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 Tl1 Pt1 N2 113.5(3) . .
O2 Tl1 Pt1 N2 -162.6(3) . .
Pt2 Tl1 Pt1 N2 152.7(2) . .
O1 Tl1 Pt1 N1 25.3(3) . .
O2 Tl1 Pt1 N1 109.1(3) . .
Pt2 Tl1 Pt1 N1 64.5(3) . .
O1 Tl1 Pt1 N3 -152.0(3) . .
O2 Tl1 Pt1 N3 -68.2(3) . .
Pt2 Tl1 Pt1 N3 -112.8(3) . .
O1 Tl1 Pt1 N4 -69.4(3) . .
O2 Tl1 Pt1 N4 14.4(3) . .
Pt2 Tl1 Pt1 N4 -30.2(2) . .
O1 Tl1 Pt1 Tl2 10.11(19) . 1_655
O2 Tl1 Pt1 Tl2 93.94(19) . 1_655
Pt2 Tl1 Pt1 Tl2 49.30(12) . 1_655
O4 Tl2 Pt2 N5 155.6(3) 1_455 .
O3 Tl2 Pt2 N5 61.4(3) . .
Pt1 Tl2 Pt2 N5 108.7(3) 1_455 .
O4 Tl2 Pt2 N6 68.4(3) 1_455 .
O3 Tl2 Pt2 N6 -25.8(3) . .
Pt1 Tl2 Pt2 N6 21.5(3) 1_455 .
O4 Tl2 Pt2 N7 -25.0(3) 1_455 .
O3 Tl2 Pt2 N7 -119.2(3) . .
Pt1 Tl2 Pt2 N7 -71.9(2) 1_455 .
O4 Tl2 Pt2 N8 -108.2(3) 1_455 .
O3 Tl2 Pt2 N8 157.6(3) . .
Pt1 Tl2 Pt2 N8 -155.1(2) 1_455 .
O1 Tl1 Pt2 N5 105.6(3) . .
O2 Tl1 Pt2 N5 21.5(3) . .
Pt1 Tl1 Pt2 N5 68.7(3) . .
O1 Tl1 Pt2 N6 -167.4(3) . .
O2 Tl1 Pt2 N6 108.5(3) . .
Pt1 Tl1 Pt2 N6 155.6(3) . .
O1 Tl1 Pt2 N7 -73.9(3) . .
O2 Tl1 Pt2 N7 -158.0(3) . .
Pt1 Tl1 Pt2 N7 -110.9(2) . .
O1 Tl1 Pt2 N8 9.5(3) . .
O2 Tl1 Pt2 N8 -74.7(3) . .
Pt1 Tl1 Pt2 N8 -27.5(2) . .
O2 Tl1 O1 C1 -128.5(7) . .
Pt1 Tl1 O1 C1 -38.0(6) . .
Pt2 Tl1 O1 C1 158.1(6) . .
O1 Tl1 O2 C17 -125.6(7) . .
Pt1 Tl1 O2 C17 162.3(7) . .
Pt2 Tl1 O2 C17 -36.4(6) . .
O4 Tl2 O3 C22 -47.1(7) 1_455 .
Pt2 Tl2 O3 C22 38.4(7) . .
Pt1 Tl2 O3 C22 -117.0(7) 1_455 .
N2 Pt1 N1 C1 -126.3(9) . .
N4 Pt1 N1 C1 56.4(10) . .
Tl2 Pt1 N1 C1 145.4(9) 1_655 .
Tl1 Pt1 N1 C1 -31.8(9) . .
N1 Pt1 N2 C6 -51.6(8) . .
N3 Pt1 N2 C6 123.1(8) . .
Tl2 Pt1 N2 C6 33.6(7) 1_655 .
Tl1 Pt1 N2 C6 -135.9(7) . .
N2 Pt1 N3 C11 178.0(6) . .
N4 Pt1 N3 C11 -4.4(6) . .
Tl2 Pt1 N3 C11 -93.8(6) 1_655 .
Tl1 Pt1 N3 C11 82.9(6) . .
N1 Pt1 N4 C12 151.4(6) . .
N3 Pt1 N4 C12 -23.3(6) . .
Tl2 Pt1 N4 C12 66.3(6) 1_655 .
Tl1 Pt1 N4 C12 -124.3(6) . .
N6 Pt2 N5 C17 -112.7(10) . .
N8 Pt2 N5 C17 69.3(10) . .
Tl2 Pt2 N5 C17 159.6(10) . .
Tl1 Pt2 N5 C17 -21.8(10) . .
N5 Pt2 N6 C22 -55.5(8) . .
N7 Pt2 N6 C22 119.4(8) . .
Tl2 Pt2 N6 C22 31.5(8) . .
Tl1 Pt2 N6 C22 -140.5(8) . .
N6 Pt2 N7 C27 177.2(6) . .
N8 Pt2 N7 C27 -4.5(6) . .
Tl2 Pt2 N7 C27 -95.4(5) . .
Tl1 Pt2 N7 C27 86.0(6) . .
N5 Pt2 N8 C28 150.4(6) . .
N7 Pt2 N8 C28 -24.5(6) . .
Tl2 Pt2 N8 C28 63.4(6) . .
Tl1 Pt2 N8 C28 -124.4(5) . .
Tl1 O1 C1 N1 33.3(12) . .
Tl1 O1 C1 C2 -145.0(8) . .
Pt1 N1 C1 O1 3.2(16) . .
Pt1 N1 C1 C2 -178.4(7) . .
O1 C1 C2 C5 -60.0(13) . .
N1 C1 C2 C5 121.6(10) . .
O1 C1 C2 C4 179.9(11) . .
N1 C1 C2 C4 1.5(15) . .
O1 C1 C2 C3 59.4(13) . .
N1 C1 C2 C3 -119.0(11) . .
Tl2 O4 C6 N2 -26.7(12) 1_655 .
Tl2 O4 C6 C7 155.1(7) 1_655 .
Pt1 N2 C6 O4 -10.8(13) . .
Pt1 N2 C6 C7 167.3(7) . .
O4 C6 C7 C8 -36.8(15) . .
N2 C6 C7 C8 145.0(11) . .
O4 C6 C7 C10 82.1(11) . .
N2 C6 C7 C10 -96.2(11) . .
O4 C6 C7 C9 -160.0(10) . .
N2 C6 C7 C9 21.8(14) . .
Pt1 N3 C11 C12 31.5(9) . .
Pt1 N3 C11 C16 156.9(8) . .
Pt1 N4 C12 C13 173.2(8) . .
Pt1 N4 C12 C11 46.0(8) . .
N3 C11 C12 N4 -51.5(10) . .
C16 C11 C12 N4 -177.3(8) . .
N3 C11 C12 C13 -179.2(8) . .
C16 C11 C12 C13 55.0(12) . .
N4 C12 C13 C14 -177.4(10) . .
C11 C12 C13 C14 -53.9(13) . .
C12 C13 C14 C15 51.7(15) . .
C13 C14 C15 C16 -52.4(16) . .
N3 C11 C16 C15 -174.9(10) . .
C12 C11 C16 C15 -50.7(13) . .
C14 C15 C16 C11 51.8(15) . .
Tl1 O2 C17 N5 37.6(12) . .
Tl1 O2 C17 C18 -140.8(8) . .
Pt2 N5 C17 O2 -8.6(17) . .
Pt2 N5 C17 C18 169.8(7) . .
O2 C17 C18 C19 -174.1(12) . .
N5 C17 C18 C19 7.4(15) . .
O2 C17 C18 C20 66.3(13) . .
N5 C17 C18 C20 -112.3(12) . .
O2 C17 C18 C21 -53.1(14) . .
N5 C17 C18 C21 128.4(11) . .
Tl2 O3 C22 N6 -31.8(12) . .
Tl2 O3 C22 C23 155.6(7) . .
Pt2 N6 C22 O3 -5.5(14) . .
Pt2 N6 C22 C23 167.1(7) . .
O3 C22 C23 C25 72.9(13) . .
N6 C22 C23 C25 -99.9(13) . .
O3 C22 C23 C26 -41.4(16) . .
N6 C22 C23 C26 145.8(13) . .
O3 C22 C23 C24 -167.6(12) . .
N6 C22 C23 C24 19.7(16) . .
Pt2 N7 C27 C32 157.1(7) . .
Pt2 N7 C27 C28 32.1(8) . .
Pt2 N8 C28 C29 173.7(7) . .
Pt2 N8 C28 C27 48.2(8) . .
C32 C27 C28 N8 -178.4(8) . .
N7 C27 C28 N8 -53.0(9) . .
C32 C27 C28 C29 54.3(11) . .
N7 C27 C28 C29 179.7(7) . .
N8 C28 C29 C30 -177.7(9) . .
C27 C28 C29 C30 -55.3(11) . .
C28 C29 C30 C31 57.6(12) . .
C29 C30 C31 C32 -58.2(12) . .
N7 C27 C32 C31 -175.0(8) . .
C28 C27 C32 C31 -52.5(12) . .
C30 C31 C32 C27 55.0(12) . .
