#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:57:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179712 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/14/7001462.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_7001462
loop_
_publ_author_name
'Tong, Wah-Leung'
'Chan, Michael C. W.'
'Zhu, Nianyong'
'Leung, Sze-Kar'
_publ_section_title
;
 Synthesis and spectroscopic properties of modular platinum(II)
 terpyridine phosphorescent pockets
;
_journal_issue                   24
_journal_name_full               'Dalton Transactions'
_journal_page_first              4741
_journal_page_last               4746
_journal_paper_doi               10.1039/b900030e
_journal_year                    2009
_chemical_formula_moiety         'C46 H45 Cl2 N3 O7 Pt'
_chemical_formula_sum            'C46 H45 Cl2 N3 O7 Pt'
_chemical_formula_weight         1017.84
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 113.71(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.261(7)
_cell_length_b                   12.008(4)
_cell_length_c                   21.963(7)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     5134(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Smart CCD 1000'
_diffrn_measurement_method       'w scan'
_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  0.1083
_diffrn_reflns_av_sigmaI/netI    0.1449
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27263
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    2.883
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.629917
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.732
_refine_diff_density_min         -1.119
_refine_diff_density_rms         0.211
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.777
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         9693
_refine_ls_number_restraints     79
_refine_ls_restrained_S_all      0.777
_refine_ls_R_factor_all          0.1510
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1255P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1892
_refine_ls_wR_factor_ref         0.2134
_reflns_number_gt                3824
_reflns_number_total             9693
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b900030e.txt
_cod_data_source_block           wt1194(MCW_Chan)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7001462
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.05802(3) 0.05653(4) 0.06356(2) 0.0701(2) Uani 1 1 d . . .
Cl1 Cl -0.17182(18) 0.0725(3) 0.01947(19) 0.0985(11) Uani 1 1 d . . .
Cl2 Cl 0.1763(3) 0.5521(5) 0.1053(4) 0.1342(17) Uani 1 1 d . . .
O2 O -0.0703(5) 0.3449(11) 0.2523(5) 0.116(4) Uani 1 1 d . . .
O3 O -0.0801(6) 0.1613(12) 0.2343(6) 0.125(4) Uani 1 1 d . . .
O7 O 0.2012(12) 0.4690(19) 0.1502(12) 0.268(12) Uani 1 1 d . . .
O4 O 0.1112(7) 0.5319(10) 0.0682(8) 0.156(5) Uani 1 1 d . . .
O5 O 0.2111(13) 0.529(3) 0.072(2) 0.43(3) Uani 1 1 d . . .
O6 O 0.1881(8) 0.6568(15) 0.1272(14) 0.295(14) Uani 1 1 d . . .
N1 N -0.0336(4) 0.2140(6) 0.0916(4) 0.072(3) Uiso 1 1 d G . .
C1 C -0.0779(4) 0.3041(8) 0.0805(4) 0.100(5) Uani 1 1 d G . .
H1 H -0.1250 0.2940 0.0576 0.120 Uiso 1 1 calc R . .
C2 C -0.0519(6) 0.4092(6) 0.1036(5) 0.101(5) Uani 1 1 d G . .
H2 H -0.0815 0.4695 0.0961 0.121 Uiso 1 1 calc R . .
C3 C 0.0185(7) 0.4243(5) 0.1378(5) 0.102(5) Uani 1 1 d G . .
H3 H 0.0359 0.4947 0.1532 0.123 Uiso 1 1 calc R . .
C4 C 0.0628(4) 0.3343(8) 0.1489(4) 0.092(4) Uani 1 1 d G . .
H4 H 0.1099 0.3443 0.1718 0.110 Uiso 1 1 calc R . .
C5 C 0.0368(4) 0.2291(6) 0.1258(4) 0.065(3) Uani 1 1 d G . .
N2 N 0.0332(3) 0.0418(7) 0.1002(3) 0.061(2) Uiso 1 1 d G . .
C6 C 0.0748(4) 0.1322(5) 0.1306(4) 0.081(4) Uani 1 1 d G . .
C7 C 0.1454(4) 0.1179(6) 0.1640(4) 0.079(4) Uani 1 1 d G . .
H7 H 0.1732 0.1784 0.1844 0.095 Uiso 1 1 calc R . .
C8 C 0.1743(3) 0.0131(8) 0.1670(4) 0.078(4) Uani 1 1 d G . .
C9 C 0.1327(4) -0.0773(6) 0.1365(4) 0.076(4) Uani 1 1 d G . .
H9 H 0.1520 -0.1473 0.1385 0.091 Uiso 1 1 calc R . .
C10 C 0.0621(4) -0.0629(6) 0.1031(3) 0.068(3) Uani 1 1 d G . .
N3 N -0.0545(4) -0.1070(5) 0.0445(4) 0.072(3) Uiso 1 1 d G . .
C11 C 0.0125(3) -0.1468(6) 0.0714(3) 0.067(3) Uani 1 1 d G . .
C12 C 0.0255(4) -0.2584(7) 0.0644(4) 0.075(4) Uani 1 1 d G . .
H12 H 0.0704 -0.2850 0.0824 0.091 Uiso 1 1 calc R . .
C13 C -0.0285(6) -0.3303(5) 0.0304(4) 0.077(4) Uani 1 1 d G . .
H13 H -0.0198 -0.4050 0.0258 0.093 Uiso 1 1 calc R . .
C14 C -0.0956(5) -0.2905(7) 0.0035(4) 0.085(4) Uani 1 1 d G . .
H14 H -0.1317 -0.3386 -0.0192 0.102 Uiso 1 1 calc R . .
C15 C -0.1086(3) -0.1789(8) 0.0106(4) 0.087(4) Uani 1 1 d G . .
H15 H -0.1534 -0.1523 -0.0074 0.104 Uiso 1 1 calc R . .
C16 C 0.2464(7) -0.0055(15) 0.2010(7) 0.099(5) Uani 1 1 d . . .
C17 C 0.2791(8) -0.0761(13) 0.1742(8) 0.100(5) Uani 1 1 d . . .
H17 H 0.2533 -0.1108 0.1340 0.120 Uiso 1 1 calc R . .
C18 C 0.3449(8) -0.0969(17) 0.2028(9) 0.116(6) Uani 1 1 d . . .
C19 C 0.3777(9) -0.048(2) 0.2646(12) 0.165(9) Uani 1 1 d . A .
H19 H 0.4233 -0.0680 0.2883 0.197 Uiso 1 1 calc R . .
C20 C 0.3501(8) 0.030(2) 0.2967(9) 0.183(11) Uani 1 1 d D . .
C21 C 0.2829(7) 0.0490(18) 0.2620(8) 0.131(7) Uani 1 1 d . A .
O1 O 0.2488(5) 0.1167(14) 0.2895(6) 0.172(6) Uani 1 1 d . . .
C22 C 0.2777(8) 0.148(2) 0.3599(9) 0.159(9) Uani 1 1 d . A .
C23 C 0.3451(9) 0.1347(18) 0.3938(9) 0.168(10) Uani 1 1 d D . .
C24 C 0.3915(11) 0.1145(17) 0.3537(8) 0.143(14) Uiso 0.50 1 d PD A 1
C41 C 0.4571(9) 0.053(2) 0.4014(10) 0.099(9) Uiso 0.50 1 d PD A 1
H41A H 0.4441 -0.0153 0.4163 0.148 Uiso 0.50 1 calc PR A 1
H41B H 0.4818 0.0992 0.4391 0.148 Uiso 0.50 1 calc PR A 1
H41C H 0.4859 0.0359 0.3783 0.148 Uiso 0.50 1 calc PR A 1
C42 C 0.4011(18) 0.226(2) 0.3235(16) 0.161(15) Uiso 0.50 1 d PD A 1
H42A H 0.3570 0.2545 0.2948 0.241 Uiso 0.50 1 calc PR A 1
H42B H 0.4284 0.2138 0.2984 0.241 Uiso 0.50 1 calc PR A 1
H42C H 0.4237 0.2780 0.3586 0.241 Uiso 0.50 1 calc PR A 1
C24' C 0.3903(12) 0.0497(18) 0.3736(10) 0.161(16) Uiso 0.50 1 d PD A 2
C41' C 0.4588(10) 0.109(4) 0.3846(16) 0.223(18) Uiso 0.50 1 d PD A 2
H41D H 0.4491 0.1771 0.3592 0.335 Uiso 0.50 1 calc PR A 2
H41E H 0.4865 0.0616 0.3705 0.335 Uiso 0.50 1 calc PR A 2
H41F H 0.4830 0.1265 0.4310 0.335 Uiso 0.50 1 calc PR A 2
C42' C 0.395(2) -0.061(2) 0.4109(16) 0.223(18) Uiso 0.50 1 d PD A 2
H42D H 0.3495 -0.0910 0.3990 0.335 Uiso 0.50 1 calc PR A 2
H42E H 0.4159 -0.0484 0.4579 0.335 Uiso 0.50 1 calc PR A 2
H42F H 0.4221 -0.1135 0.3988 0.335 Uiso 0.50 1 calc PR A 2
C25 C 0.3719(10) 0.162(2) 0.4663(10) 0.179(10) Uani 1 1 d . A .
H25 H 0.4183 0.1513 0.4922 0.215 Uiso 1 1 calc R . .
C26 C 0.3295(10) 0.2031(16) 0.4970(9) 0.130(6) Uani 1 1 d . . .
C27 C 0.2631(9) 0.2177(16) 0.4571(8) 0.126(6) Uani 1 1 d . A .
H27 H 0.2331 0.2467 0.4743 0.151 Uiso 1 1 calc R . .
C28 C 0.2379(7) 0.1888(15) 0.3876(8) 0.109(5) Uani 1 1 d . . .
C29 C 0.1647(8) 0.2035(15) 0.3461(7) 0.091(4) Uani 1 1 d . A .
C30 C 0.1367(10) 0.3074(13) 0.3444(7) 0.098(5) Uani 1 1 d . . .
H30 H 0.1653 0.3665 0.3657 0.118 Uiso 1 1 calc R A .
C31 C 0.0677(8) 0.3252(13) 0.3119(6) 0.079(4) Uani 1 1 d . A .
H31 H 0.0491 0.3962 0.3088 0.095 Uiso 1 1 calc R . .
C32 C 0.0278(7) 0.2374(14) 0.2847(6) 0.075(4) Uani 1 1 d . . .
C33 C 0.0560(8) 0.1350(13) 0.2853(7) 0.077(4) Uani 1 1 d . A .
H33 H 0.0274 0.0758 0.2641 0.092 Uiso 1 1 calc R . .
C34 C 0.1221(8) 0.1183(13) 0.3149(7) 0.085(4) Uani 1 1 d . . .
H34 H 0.1400 0.0477 0.3145 0.102 Uiso 1 1 calc R A .
C35 C -0.0454(8) 0.2564(14) 0.2558(7) 0.078(4) Uani 1 1 d . A .
C36 C -0.1541(8) 0.166(2) 0.2039(11) 0.176(9) Uani 1 1 d . . .
H36A H -0.1722 0.0927 0.1906 0.264 Uiso 1 1 calc R . .
H36B H -0.1685 0.2137 0.1656 0.264 Uiso 1 1 calc R . .
H36C H -0.1709 0.1952 0.2353 0.264 Uiso 1 1 calc R . .
C37 C 0.3785(8) -0.1757(18) 0.1747(10) 0.149(8) Uani 1 1 d D . .
C38 C 0.3392(9) -0.211(2) 0.1037(10) 0.240(16) Uani 1 1 d D . .
H38A H 0.3266 -0.1460 0.0756 0.360 Uiso 1 1 calc R . .
H38B H 0.2984 -0.2501 0.0999 0.360 Uiso 1 1 calc R . .
H38C H 0.3674 -0.2586 0.0901 0.360 Uiso 1 1 calc R . .
C39 C 0.4445(10) -0.1253(19) 0.1787(12) 0.211(12) Uani 1 1 d D . .
H39A H 0.4351 -0.0554 0.1554 0.317 Uiso 1 1 calc R . .
H39B H 0.4661 -0.1748 0.1587 0.317 Uiso 1 1 calc R . .
H39C H 0.4745 -0.1132 0.2244 0.317 Uiso 1 1 calc R . .
C40 C 0.3971(13) -0.280(2) 0.2157(12) 0.260(16) Uani 1 1 d D . .
H40A H 0.4192 -0.3311 0.1970 0.390 Uiso 1 1 calc R . .
H40B H 0.3562 -0.3136 0.2159 0.390 Uiso 1 1 calc R . .
H40C H 0.4278 -0.2620 0.2604 0.390 Uiso 1 1 calc R . .
C43 C 0.3621(9) 0.2277(16) 0.5740(8) 0.140(7) Uani 1 1 d D A .
C44 C 0.4264(10) 0.297(2) 0.5928(12) 0.256(17) Uani 1 1 d D . .
H44A H 0.4590 0.2584 0.5803 0.384 Uiso 1 1 calc R A .
H44B H 0.4461 0.3096 0.6399 0.384 Uiso 1 1 calc R . .
H44C H 0.4152 0.3673 0.5700 0.384 Uiso 1 1 calc R . .
C45 C 0.3816(12) 0.1240(17) 0.6163(10) 0.213(12) Uani 1 1 d D . .
H45A H 0.4141 0.0817 0.6056 0.319 Uiso 1 1 calc R A .
H45B H 0.3413 0.0798 0.6077 0.319 Uiso 1 1 calc R . .
H45C H 0.4018 0.1444 0.6624 0.319 Uiso 1 1 calc R . .
C46 C 0.3138(10) 0.291(2) 0.5948(11) 0.262(18) Uani 1 1 d D . .
H46A H 0.3019 0.3601 0.5706 0.393 Uiso 1 1 calc R A .
H46B H 0.3355 0.3066 0.6416 0.393 Uiso 1 1 calc R . .
H46C H 0.2731 0.2480 0.5857 0.393 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
Pt Pt -1.7033 8.3905 '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'
O O 0.0106 0.0060 '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'
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'
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
N2 Pt1 N1 81.6(4) . . ?
N2 Pt1 N3 82.7(3) . . ?
N1 Pt1 N3 164.2(3) . . ?
N2 Pt1 Cl1 178.8(3) . . ?
N1 Pt1 Cl1 98.9(3) . . ?
N3 Pt1 Cl1 96.8(2) . . ?
O5 Cl2 O4 108(2) . . ?
O5 Cl2 O6 110.6(17) . . ?
O4 Cl2 O6 113.3(10) . . ?
O5 Cl2 O7 96(2) . . ?
O4 Cl2 O7 108.8(12) . . ?
O6 Cl2 O7 118.1(17) . . ?
C35 O3 C36 118.2(15) . . ?
C1 N1 C5 120.0 . . ?
C1 N1 Pt1 127.6(5) . . ?
C5 N1 Pt1 112.4(5) . . ?
C2 C1 N1 120.0 . . ?
C1 C2 C3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C4 C5 N1 120.0 . . ?
C4 C5 C6 126.5(7) . . ?
N1 C5 C6 113.4(7) . . ?
C6 N2 C10 120.0 . . ?
C6 N2 Pt1 120.4(5) . . ?
C10 N2 Pt1 119.4(5) . . ?
C7 C6 N2 120.0 . . ?
C7 C6 C5 127.8(7) . . ?
N2 C6 C5 112.1(7) . . ?
C8 C7 C6 120.0 . . ?
C7 C8 C9 120.0 . . ?
C7 C8 C16 121.9(9) . . ?
C9 C8 C16 118.1(9) . . ?
C10 C9 C8 120.0 . . ?
C9 C10 N2 120.0 . . ?
C9 C10 C11 127.0(6) . . ?
N2 C10 C11 113.0(6) . . ?
C11 N3 C15 120.0 . . ?
C11 N3 Pt1 111.3(5) . . ?
C15 N3 Pt1 128.7(5) . . ?
C12 C11 N3 120.0 . . ?
C12 C11 C10 126.6(6) . . ?
N3 C11 C10 113.4(6) . . ?
C13 C12 C11 120.0 . . ?
C12 C13 C14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C14 C15 N3 120.0 . . ?
C17 C16 C21 121.0(13) . . ?
C17 C16 C8 119.7(13) . . ?
C21 C16 C8 119.3(13) . . ?
C18 C17 C16 122.8(16) . . ?
C17 C18 C19 114.2(16) . . ?
C17 C18 C37 122.1(18) . . ?
C19 C18 C37 123.4(16) . . ?
C18 C19 C20 128.1(16) . . ?
C21 C20 C19 112.6(15) . . ?
C21 C20 C24' 125.4(18) . . ?
C19 C20 C24' 118.2(16) . . ?
C21 C20 C24 118.1(17) . . ?
C19 C20 C24 127.1(15) . . ?
C24' C20 C24 33.1(10) . . ?
C20 C21 O1 118.6(15) . . ?
C20 C21 C16 121.0(16) . . ?
O1 C21 C16 120.2(13) . . ?
C21 O1 C22 122.8(13) . . ?
C28 C22 C23 122.2(16) . . ?
C28 C22 O1 120.5(14) . . ?
C23 C22 O1 117.2(16) . . ?
C22 C23 C25 115.5(15) . . ?
C22 C23 C24' 124.0(18) . . ?
C25 C23 C24' 115.2(15) . . ?
C22 C23 C24 118.7(16) . . ?
C25 C23 C24 124.8(15) . . ?
C24' C23 C24 33.0(10) . . ?
C42 C24 C41 118(2) . . ?
C42 C24 C20 110.0(11) . . ?
C41 C24 C20 107.0(10) . . ?
C42 C24 C23 109.0(11) . . ?
C41 C24 C23 106.8(10) . . ?
C20 C24 C23 105.5(16) . . ?
C42' C24' C41' 117(2) . . ?
C42' C24' C20 109.4(11) . . ?
C41' C24' C20 107.8(11) . . ?
C42' C24' C23 108.9(11) . . ?
C41' C24' C23 107.2(11) . . ?
C20 C24' C23 105.5(16) . . ?
C26 C25 C23 122.9(16) . . ?
C27 C26 C25 116.0(17) . . ?
C27 C26 C43 124.7(16) . . ?
C25 C26 C43 119.3(17) . . ?
C26 C27 C28 120.4(16) . . ?
C22 C28 C27 122.9(14) . . ?
C22 C28 C29 118.5(15) . . ?
C27 C28 C29 118.6(14) . . ?
C34 C29 C30 118.4(15) . . ?
C34 C29 C28 123.4(16) . . ?
C30 C29 C28 117.8(16) . . ?
C31 C30 C29 121.3(14) . . ?
C32 C31 C30 117.7(14) . . ?
C31 C32 C33 120.7(13) . . ?
C31 C32 C35 116.8(15) . . ?
C33 C32 C35 122.5(15) . . ?
C34 C33 C32 121.6(15) . . ?
C33 C34 C29 120.2(15) . . ?
O2 C35 O3 125.3(16) . . ?
O2 C35 C32 123.3(16) . . ?
O3 C35 C32 111.4(15) . . ?
C18 C37 C39 108.6(17) . . ?
C18 C37 C40 110.0(18) . . ?
C39 C37 C40 106.7(11) . . ?
C18 C37 C38 117.2(15) . . ?
C39 C37 C38 106.9(12) . . ?
C40 C37 C38 106.9(13) . . ?
C46 C43 C45 106.7(12) . . ?
C46 C43 C44 107.1(12) . . ?
C45 C43 C44 107.0(12) . . ?
C46 C43 C26 111.5(15) . . ?
C45 C43 C26 113.5(15) . . ?
C44 C43 C26 110.7(17) . . ?
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 N2 1.785(6) . ?
Pt1 N1 1.992(6) . ?
Pt1 N3 2.016(6) . ?
Pt1 Cl1 2.224(4) . ?
Cl2 O5 1.26(3) . ?
Cl2 O4 1.316(13) . ?
Cl2 O6 1.334(14) . ?
Cl2 O7 1.352(19) . ?
O2 C35 1.175(15) . ?
O3 C35 1.338(17) . ?
O3 C36 1.442(17) . ?
N1 C1 1.3900 . ?
N1 C5 1.3900 . ?
C1 C2 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.397(9) . ?
N2 C6 1.3900 . ?
N2 C10 1.3900 . ?
C6 C7 1.3900 . ?
C7 C8 1.3900 . ?
C8 C9 1.3900 . ?
C8 C16 1.428(14) . ?
C9 C10 1.3900 . ?
C10 C11 1.422(8) . ?
N3 C11 1.3900 . ?
N3 C15 1.3900 . ?
C11 C12 1.3900 . ?
C12 C13 1.3900 . ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C16 C17 1.369(19) . ?
C16 C21 1.410(19) . ?
C17 C18 1.306(19) . ?
C18 C19 1.38(2) . ?
C18 C37 1.46(2) . ?
C19 C20 1.43(3) . ?
C20 C21 1.34(2) . ?
C20 C24' 1.574(13) . ?
C20 C24 1.575(13) . ?
C21 O1 1.379(18) . ?
O1 C22 1.467(19) . ?
C22 C28 1.32(2) . ?
C22 C23 1.33(2) . ?
C23 C25 1.50(2) . ?
C23 C24' 1.581(13) . ?
C23 C24 1.583(13) . ?
C24 C42 1.540(13) . ?
C24 C41 1.555(13) . ?
C24' C42' 1.547(13) . ?
C24' C41' 1.552(13) . ?
C25 C26 1.41(2) . ?
C26 C27 1.34(2) . ?
C26 C43 1.58(2) . ?
C27 C28 1.44(2) . ?
C28 C29 1.464(19) . ?
C29 C34 1.357(19) . ?
C29 C30 1.376(19) . ?
C30 C31 1.366(18) . ?
C31 C32 1.334(18) . ?
C32 C33 1.366(17) . ?
C32 C35 1.444(19) . ?
C33 C34 1.304(17) . ?
C37 C39 1.498(15) . ?
C37 C40 1.499(15) . ?
C37 C38 1.504(15) . ?
C43 C46 1.490(15) . ?
C43 C45 1.508(15) . ?
C43 C44 1.510(14) . ?
