#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:46:46 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179077 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/39/4303994.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_4303994
loop_
_publ_author_name
'Pingwu Du'
'Jacob Schneider'
'William W. Brennessel'
'Richard Eisenberg'
_publ_section_title
;
Synthesis and Structural Characterization of a New Vapochromic Pt(II)
Complex Based on the 1-Terpyridyl-2,3,4,5,6-pentaphenylbenzene (TPPPB)
Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              69
_journal_page_last               77
_journal_paper_doi               10.1021/ic700947g
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C51 H35 Cl N3 Pt, Cl'
_chemical_formula_sum            'C51 H35 Cl2 N3 Pt'
_chemical_formula_weight         955.81
_chemical_name_common            eispd07
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 103.167(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   13.366(3)
_cell_length_b                   45.731(10)
_cell_length_c                   24.151(5)
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      28.77
_cell_measurement_theta_min      2.48
_cell_volume                     14374(5)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD Platform'
_diffrn_measurement_method       'area detector, ω scans per φ'
_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  0.1484
_diffrn_reflns_av_sigmaI/netI    0.1320
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       58
_diffrn_reflns_limit_k_min       -58
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            91641
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    3.074
_exptl_absorpt_correction_T_max  0.9411
_exptl_absorpt_correction_T_min  0.3086
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             5688
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.982
_refine_diff_density_min         -1.329
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     789
_refine_ls_number_reflns         15854
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.967
_refine_ls_R_factor_all          0.1151
_refine_ls_R_factor_gt           0.0557
_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)+(0.0477P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1141
_refine_ls_wR_factor_ref         0.1268
_reflns_number_gt                8545
_reflns_number_total             15854
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700947g-file003_2.cif
_cod_data_source_block           eispd07
_cod_database_code               4303994
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.51677(3) 0.483787(7) 0.091465(15) 0.03084(10) Uani 1 1 d . . .
Cl1 Cl 0.51011(17) 0.43399(4) 0.09326(10) 0.0401(5) Uani 1 1 d . . .
N1 N 0.3885(5) 0.49115(15) 0.0295(3) 0.0340(17) Uani 1 1 d . . .
N2 N 0.5247(5) 0.52526(14) 0.0906(3) 0.0303(16) Uani 1 1 d . . .
N3 N 0.6468(5) 0.49033(16) 0.1521(3) 0.0346(18) Uani 1 1 d . . .
C1 C 0.3259(6) 0.47147(18) 0.0025(4) 0.034(2) Uani 1 1 d . . .
H1A H 0.3402 0.4514 0.0107 0.041 Uiso 1 1 calc R . .
C2 C 0.2383(6) 0.47916(19) -0.0381(4) 0.036(2) Uani 1 1 d . . .
H2A H 0.1938 0.4645 -0.0578 0.044 Uiso 1 1 calc R . .
C3 C 0.2169(6) 0.50784(19) -0.0493(4) 0.039(2) Uani 1 1 d . . .
H3A H 0.1568 0.5136 -0.0763 0.047 Uiso 1 1 calc R . .
C4 C 0.2858(6) 0.52878(18) -0.0200(3) 0.032(2) Uani 1 1 d . . .
H4A H 0.2728 0.5490 -0.0269 0.038 Uiso 1 1 calc R . .
C5 C 0.3702(6) 0.51990(17) 0.0179(3) 0.0270(19) Uani 1 1 d . . .
C6 C 0.4481(6) 0.53934(19) 0.0522(3) 0.032(2) Uani 1 1 d . . .
C7 C 0.4542(5) 0.56983(15) 0.0481(3) 0.0250(18) Uani 1 1 d . . .
H7A H 0.4052 0.5801 0.0202 0.030 Uiso 1 1 calc R . .
C8 C 0.5313(6) 0.58488(16) 0.0847(4) 0.0290(19) Uani 1 1 d . . .
C9 C 0.6040(6) 0.56944(18) 0.1246(3) 0.032(2) Uani 1 1 d . . .
H9A H 0.6565 0.5794 0.1510 0.038 Uiso 1 1 calc R . .
C10 C 0.5979(6) 0.53987(17) 0.1247(3) 0.0247(18) Uani 1 1 d . . .
C11 C 0.6718(7) 0.51958(19) 0.1622(4) 0.033(2) Uani 1 1 d . . .
C12 C 0.7565(6) 0.5277(2) 0.2014(3) 0.038(2) Uani 1 1 d . . .
H12A H 0.7729 0.5478 0.2077 0.045 Uiso 1 1 calc R . .
C13 C 0.8202(7) 0.5061(2) 0.2328(4) 0.045(2) Uani 1 1 d . . .
H13A H 0.8796 0.5114 0.2609 0.054 Uiso 1 1 calc R . .
C14 C 0.7946(7) 0.4778(2) 0.2219(4) 0.044(2) Uani 1 1 d . . .
H14A H 0.8377 0.4630 0.2423 0.053 Uiso 1 1 calc R . .
C15 C 0.7085(7) 0.4698(2) 0.1824(4) 0.041(2) Uani 1 1 d . . .
H15A H 0.6919 0.4497 0.1762 0.049 Uiso 1 1 calc R . .
C16 C 0.5299(6) 0.61798(17) 0.0841(3) 0.035(2) Uani 1 1 d . . .
C17 C 0.6113(6) 0.63405(17) 0.0705(3) 0.033(2) Uani 1 1 d . . .
C18 C 0.6082(6) 0.66460(17) 0.0719(3) 0.035(2) Uani 1 1 d . . .
C19 C 0.5261(6) 0.67908(16) 0.0873(4) 0.038(2) Uani 1 1 d . A .
C20 C 0.4445(6) 0.66319(17) 0.0996(4) 0.041(2) Uani 1 1 d . . .
C21 C 0.4452(6) 0.63237(18) 0.0971(3) 0.037(2) Uani 1 1 d . A .
C22 C 0.6950(6) 0.61880(17) 0.0500(4) 0.038(2) Uani 1 1 d . . .
C23 C 0.6867(7) 0.61685(19) -0.0083(4) 0.051(3) Uani 1 1 d . . .
H23A H 0.6266 0.6237 -0.0341 0.062 Uiso 1 1 calc R . .
C24 C 0.7660(11) 0.6050(2) -0.0281(6) 0.082(4) Uani 1 1 d . . .
H24A H 0.7598 0.6039 -0.0680 0.099 Uiso 1 1 calc R . .
C25 C 0.8508(11) 0.5949(2) 0.0060(7) 0.086(5) Uani 1 1 d . . .
H25A H 0.9035 0.5867 -0.0097 0.103 Uiso 1 1 calc R . .
C26 C 0.8634(7) 0.5963(2) 0.0651(6) 0.077(4) Uani 1 1 d . . .
H26A H 0.9235 0.5888 0.0900 0.092 Uiso 1 1 calc R . .
C27 C 0.7840(6) 0.60913(19) 0.0866(5) 0.055(3) Uani 1 1 d . . .
H27A H 0.7918 0.6112 0.1265 0.066 Uiso 1 1 calc R . .
C28 C 0.6919(6) 0.68189(18) 0.0531(4) 0.040(2) Uani 1 1 d . . .
C29 C 0.7905(6) 0.68202(19) 0.0852(4) 0.048(2) Uani 1 1 d . . .
H29A H 0.8078 0.6713 0.1198 0.058 Uiso 1 1 calc R . .
C30 C 0.8647(7) 0.6980(2) 0.0667(5) 0.058(3) Uani 1 1 d . . .
H30A H 0.9325 0.6989 0.0897 0.070 Uiso 1 1 calc R . .
C31 C 0.8420(7) 0.7125(2) 0.0165(5) 0.058(3) Uani 1 1 d . . .
H31A H 0.8942 0.7226 0.0034 0.069 Uiso 1 1 calc R . .
C32 C 0.7440(8) 0.71233(19) -0.0148(4) 0.057(3) Uani 1 1 d . . .
H32A H 0.7274 0.7233 -0.0491 0.068 Uiso 1 1 calc R . .
C33 C 0.6666(7) 0.69646(18) 0.0022(4) 0.046(2) Uani 1 1 d . . .
H33A H 0.5987 0.6958 -0.0208 0.055 Uiso 1 1 calc R . .
C34 C 0.5319(7) 0.71149(18) 0.0944(4) 0.042(2) Uani 1 1 d . . .
C35 C 0.6048(7) 0.7252(2) 0.1336(4) 0.052(3) Uani 1 1 d . A .
H35A H 0.6572 0.7139 0.1575 0.063 Uiso 1 1 calc R . .
C36 C 0.6050(8) 0.7543(2) 0.1397(5) 0.069(3) Uani 1 1 d . . .
H36A H 0.6576 0.7631 0.1680 0.082 Uiso 1 1 calc R A .
C37 C 0.5310(8) 0.7722(2) 0.1061(4) 0.056(3) Uani 1 1 d . A .
H37A H 0.5327 0.7928 0.1111 0.068 Uiso 1 1 calc R . .
C38 C 0.4562(7) 0.7593(2) 0.0658(4) 0.050(3) Uani 1 1 d . . .
H38A H 0.4043 0.7706 0.0418 0.060 Uiso 1 1 calc R A .
C39 C 0.4578(7) 0.7290(2) 0.0607(4) 0.048(3) Uani 1 1 d . A .
H39A H 0.4055 0.7199 0.0328 0.058 Uiso 1 1 calc R . .
C40 C 0.3587(7) 0.67814(18) 0.1189(4) 0.047(2) Uani 0.47(2) 1 d PD A 1
C41 C 0.3875(16) 0.6922(7) 0.1708(8) 0.062(3) Uani 0.47(2) 1 d PD A 1
H41A H 0.4567 0.6907 0.1917 0.074 Uiso 0.47(2) 1 calc PR A 1
C42 C 0.3158(18) 0.7091(5) 0.1942(8) 0.054(3) Uani 0.47(2) 1 d PD A 1
H42A H 0.3362 0.7190 0.2296 0.065 Uiso 0.47(2) 1 calc PR A 1
C43 C 0.2155(17) 0.7100(5) 0.1622(9) 0.047(2) Uani 0.47(2) 1 d PD A 1
H43A H 0.1673 0.7218 0.1754 0.057 Uiso 0.47(2) 1 calc PR A 1
C44 C 0.1815(16) 0.6945(7) 0.1116(11) 0.062(3) Uani 0.47(2) 1 d PD A 1
H44A H 0.1108 0.6939 0.0929 0.074 Uiso 0.47(2) 1 calc PR A 1
C45 C 0.2574(13) 0.6794(8) 0.0890(9) 0.054(3) Uani 0.47(2) 1 d PD A 1
H45A H 0.2378 0.6702 0.0530 0.065 Uiso 0.47(2) 1 calc PR A 1
C40' C 0.3587(7) 0.67814(18) 0.1189(4) 0.047(2) Uani 0.53(2) 1 d PD A 5
C41' C 0.3656(14) 0.6883(6) 0.1731(8) 0.062(3) Uani 0.53(2) 1 d PD A 5
H41B H 0.4294 0.6876 0.2002 0.074 Uiso 0.53(2) 1 calc PR A 5
C42' C 0.2766(17) 0.6998(5) 0.1887(8) 0.054(3) Uani 0.53(2) 1 d PD A 5
H42B H 0.2806 0.7073 0.2259 0.065 Uiso 0.53(2) 1 calc PR A 5
C43' C 0.1846(15) 0.6999(5) 0.1486(9) 0.047(2) Uani 0.53(2) 1 d PD A 5
H43B H 0.1236 0.7050 0.1603 0.057 Uiso 0.53(2) 1 calc PR A 5
C44' C 0.1772(14) 0.6930(6) 0.0917(9) 0.062(3) Uani 0.53(2) 1 d PD A 5
H44B H 0.1164 0.6965 0.0633 0.074 Uiso 0.53(2) 1 calc PR A 5
C45' C 0.2668(12) 0.6803(7) 0.0784(8) 0.054(3) Uani 0.53(2) 1 d PD A 5
H45B H 0.2634 0.6732 0.0411 0.065 Uiso 0.53(2) 1 calc PR A 5
C46 C 0.3599(6) 0.61482(17) 0.1122(4) 0.039(2) Uani 1 1 d . . .
C47 C 0.2694(7) 0.61025(19) 0.0717(4) 0.048(2) Uani 1 1 d . A .
H47A H 0.2605 0.6188 0.0351 0.058 Uiso 1 1 calc R . .
C48 C 0.1904(7) 0.5929(2) 0.0848(5) 0.059(3) Uani 1 1 d . . .
H48A H 0.1289 0.5892 0.0570 0.071 Uiso 1 1 calc R A .
C49 C 0.2045(8) 0.5813(2) 0.1389(5) 0.064(3) Uani 1 1 d . A .
H49A H 0.1512 0.5701 0.1488 0.077 Uiso 1 1 calc R . .
C50 C 0.2954(7) 0.58583(19) 0.1789(4) 0.054(3) Uani 1 1 d . . .
H50A H 0.3055 0.5775 0.2158 0.065 Uiso 1 1 calc R A .
C51 C 0.3718(6) 0.60276(18) 0.1640(4) 0.041(2) Uani 1 1 d . A .
H51A H 0.4343 0.6059 0.1913 0.049 Uiso 1 1 calc R . .
Pt2 Pt 0.5000 0.493093(9) 0.2500 0.02812(12) Uani 1 2 d S . .
Cl2 Cl 0.5000 0.54371(7) 0.2500 0.0484(9) Uani 1 2 d S . .
N4 N 0.3709(5) 0.48647(14) 0.1897(3) 0.0283(16) Uani 1 1 d . . .
N5 N 0.5000 0.45098(19) 0.2500 0.026(2) Uani 1 2 d S . .
C52 C 0.3071(7) 0.5068(2) 0.1587(4) 0.041(2) Uani 1 1 d . . .
H52A H 0.3228 0.5270 0.1654 0.049 Uiso 1 1 calc R . .
C53 C 0.2215(6) 0.4994(2) 0.1183(4) 0.040(2) Uani 1 1 d . . .
H53A H 0.1810 0.5140 0.0957 0.048 Uiso 1 1 calc R . .
C54 C 0.1951(7) 0.4703(2) 0.1108(4) 0.046(2) Uani 1 1 d . . .
H54A H 0.1338 0.4648 0.0843 0.055 Uiso 1 1 calc R . .
C55 C 0.2581(6) 0.4486(2) 0.1420(3) 0.040(2) Uani 1 1 d . . .
H55A H 0.2410 0.4285 0.1367 0.048 Uiso 1 1 calc R . .
C56 C 0.3465(6) 0.45742(19) 0.1810(3) 0.031(2) Uani 1 1 d . . .
C57 C 0.4224(6) 0.43608(18) 0.2159(3) 0.0319(19) Uani 1 1 d . . .
C58 C 0.4187(6) 0.40672(17) 0.2141(3) 0.034(2) Uani 1 1 d . . .
H58A H 0.3634 0.3969 0.1895 0.041 Uiso 1 1 calc R . .
C59 C 0.5000 0.3906(2) 0.2500 0.027(3) Uani 1 2 d S . .
C60 C 0.5000 0.3590(2) 0.2500 0.033(3) Uani 1 2 d S . .
C61 C 0.4488(5) 0.34345(17) 0.2863(3) 0.0310(19) Uani 1 1 d . . .
C62 C 0.4497(6) 0.31311(16) 0.2863(3) 0.0305(18) Uani 1 1 d . . .
C63 C 0.5000 0.2974(2) 0.2500 0.030(3) Uani 1 2 d S . .
C64 C 0.3955(6) 0.35917(17) 0.3262(4) 0.036(2) Uani 1 1 d . . .
C65 C 0.3054(7) 0.37456(17) 0.3059(4) 0.045(2) Uani 1 1 d . . .
H65A H 0.2805 0.3772 0.2661 0.054 Uiso 1 1 calc R . .
C66 C 0.2510(7) 0.38622(18) 0.3438(4) 0.047(2) Uani 1 1 d . . .
H66A H 0.1884 0.3964 0.3301 0.057 Uiso 1 1 calc R . .
C67 C 0.2896(7) 0.38270(19) 0.4016(4) 0.051(3) Uani 1 1 d . . .
H67A H 0.2535 0.3907 0.4277 0.061 Uiso 1 1 calc R . .
C68 C 0.3811(7) 0.36751(17) 0.4221(4) 0.046(2) Uani 1 1 d . . .
H68A H 0.4072 0.3651 0.4618 0.056 Uiso 1 1 calc R . .
C69 C 0.4326(7) 0.35613(17) 0.3841(4) 0.043(2) Uani 1 1 d . . .
H69A H 0.4952 0.3459 0.3980 0.051 Uiso 1 1 calc R . .
C70 C 0.4004(6) 0.29659(18) 0.3264(4) 0.040(2) Uani 1 1 d . . .
C71 C 0.2948(7) 0.29836(19) 0.3205(4) 0.050(2) Uani 1 1 d . . .
H71A H 0.2535 0.3089 0.2898 0.059 Uiso 1 1 calc R . .
C72 C 0.2501(8) 0.2844(2) 0.3602(5) 0.073(3) Uani 1 1 d . . .
H72A H 0.1778 0.2851 0.3562 0.088 Uiso 1 1 calc R . .
C73 C 0.3120(8) 0.2695(2) 0.4060(5) 0.064(3) Uani 1 1 d . . .
H73A H 0.2820 0.2611 0.4343 0.077 Uiso 1 1 calc R . .
C74 C 0.4153(8) 0.2670(2) 0.4101(4) 0.053(3) Uani 1 1 d . . .
H74A H 0.4568 0.2558 0.4398 0.063 Uiso 1 1 calc R . .
C75 C 0.4575(7) 0.28063(18) 0.3714(4) 0.043(2) Uani 1 1 d . . .
H75A H 0.5297 0.2792 0.3752 0.051 Uiso 1 1 calc R . .
C76 C 0.5000 0.2645(2) 0.2500 0.034(3) Uani 1 2 d S . .
C77 C 0.4116(7) 0.24955(19) 0.2244(4) 0.047(2) Uani 1 1 d . . .
H77A H 0.3510 0.2601 0.2075 0.056 Uiso 1 1 calc R . .
C78 C 0.4115(9) 0.2192(2) 0.2236(5) 0.069(3) Uani 1 1 d . . .
H78A H 0.3515 0.2089 0.2051 0.083 Uiso 1 1 calc R . .
C79 C 0.5000 0.2039(4) 0.2500 0.090(7) Uani 1 2 d S . .
H79A H 0.5000 0.1832 0.2500 0.108 Uiso 1 2 calc SR . .
Cl3 Cl 1.0671(3) 0.42834(10) 0.4421(2) 0.0570(16) Uani 0.521(5) 1 d P B 1
Cl4 Cl 1.0000 0.56807(12) 0.2500 0.047(2) Uani 0.527(6) 2 d SP C 1
Cl3' Cl 1.0153(3) 0.52970(10) 0.35586(19) 0.0436(14) Uani 0.479(5) 1 d P B 5
Cl4' Cl 1.0000 0.41905(12) 0.2500 0.0342(18) Uani 0.473(6) 2 d SP C 5
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'
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 N3 79.6(3) . . ?
N2 Pt1 N1 82.3(3) . . ?
N3 Pt1 N1 161.9(3) . . ?
N2 Pt1 Cl1 179.0(2) . . ?
N3 Pt1 Cl1 99.5(2) . . ?
N1 Pt1 Cl1 98.6(2) . . ?
C1 N1 C5 120.2(8) . . ?
C1 N1 Pt1 126.5(6) . . ?
C5 N1 Pt1 113.3(5) . . ?
C10 N2 C6 121.3(7) . . ?
C10 N2 Pt1 122.5(6) . . ?
C6 N2 Pt1 116.1(6) . . ?
C15 N3 C11 118.9(8) . . ?
C15 N3 Pt1 127.4(6) . . ?
C11 N3 Pt1 113.7(6) . . ?
N1 C1 C2 121.5(8) . . ?
N1 C1 H1A 119.3 . . ?
C2 C1 H1A 119.3 . . ?
C3 C2 C1 119.3(8) . . ?
C3 C2 H2A 120.3 . . ?
C1 C2 H2A 120.3 . . ?
C2 C3 C4 118.4(9) . . ?
C2 C3 H3A 120.8 . . ?
C4 C3 H3A 120.8 . . ?
C5 C4 C3 119.3(8) . . ?
C5 C4 H4A 120.3 . . ?
C3 C4 H4A 120.3 . . ?
C4 C5 N1 121.2(8) . . ?
C4 C5 C6 125.3(8) . . ?
N1 C5 C6 113.5(7) . . ?
N2 C6 C7 117.9(7) . . ?
N2 C6 C5 114.8(7) . . ?
C7 C6 C5 127.3(8) . . ?
C8 C7 C6 119.9(7) . . ?
C8 C7 H7A 120.1 . . ?
C6 C7 H7A 120.1 . . ?
C7 C8 C9 119.4(7) . . ?
C7 C8 C16 119.1(7) . . ?
C9 C8 C16 121.3(8) . . ?
C10 C9 C8 118.3(8) . . ?
C10 C9 H9A 120.8 . . ?
C8 C9 H9A 120.8 . . ?
N2 C10 C9 123.0(8) . . ?
N2 C10 C11 111.1(7) . . ?
C9 C10 C11 126.0(8) . . ?
C12 C11 N3 121.1(9) . . ?
C12 C11 C10 125.8(8) . . ?
N3 C11 C10 113.1(8) . . ?
C11 C12 C13 119.6(9) . . ?
C11 C12 H12A 120.2 . . ?
C13 C12 H12A 120.2 . . ?
C14 C13 C12 118.2(9) . . ?
C14 C13 H13A 120.9 . . ?
C12 C13 H13A 120.9 . . ?
C13 C14 C15 121.8(9) . . ?
C13 C14 H14A 119.1 . . ?
C15 C14 H14A 119.1 . . ?
N3 C15 C14 120.4(9) . . ?
N3 C15 H15A 119.8 . . ?
C14 C15 H15A 119.8 . . ?
C21 C16 C17 120.7(7) . . ?
C21 C16 C8 118.4(7) . . ?
C17 C16 C8 120.9(6) . . ?
C18 C17 C16 119.0(7) . . ?
C18 C17 C22 120.2(7) . . ?
C16 C17 C22 120.6(7) . . ?
C17 C18 C19 120.6(7) . . ?
C17 C18 C28 118.9(6) . . ?
C19 C18 C28 120.4(7) . . ?
C20 C19 C18 120.4(7) . . ?
C20 C19 C34 121.0(7) . . ?
C18 C19 C34 118.5(7) . . ?
C19 C20 C21 119.9(7) . . ?
C19 C20 C40 121.2(7) . . ?
C21 C20 C40 118.8(7) . . ?
C16 C21 C20 119.4(7) . . ?
C16 C21 C46 119.8(7) . . ?
C20 C21 C46 120.7(7) . . ?
C27 C22 C23 119.0(8) . . ?
C27 C22 C17 122.5(8) . . ?
C23 C22 C17 118.2(8) . . ?
C24 C23 C22 119.3(11) . . ?
C24 C23 H23A 120.4 . . ?
C22 C23 H23A 120.4 . . ?
C25 C24 C23 122.8(13) . . ?
C25 C24 H24A 118.6 . . ?
C23 C24 H24A 118.6 . . ?
C24 C25 C26 120.5(11) . . ?
C24 C25 H25A 119.8 . . ?
C26 C25 H25A 119.8 . . ?
C25 C26 C27 117.8(11) . . ?
C25 C26 H26A 121.1 . . ?
C27 C26 H26A 121.1 . . ?
C22 C27 C26 120.5(10) . . ?
C22 C27 H27A 119.7 . . ?
C26 C27 H27A 119.7 . . ?
C29 C28 C33 121.1(8) . . ?
C29 C28 C18 120.7(8) . . ?
C33 C28 C18 118.2(8) . . ?
C28 C29 C30 119.1(9) . . ?
C28 C29 H29A 120.4 . . ?
C30 C29 H29A 120.4 . . ?
C31 C30 C29 121.1(10) . . ?
C31 C30 H30A 119.4 . . ?
C29 C30 H30A 119.4 . . ?
C30 C31 C32 119.1(9) . . ?
C30 C31 H31A 120.4 . . ?
C32 C31 H31A 120.4 . . ?
C31 C32 C33 121.7(10) . . ?
C31 C32 H32A 119.2 . . ?
C33 C32 H32A 119.2 . . ?
C28 C33 C32 117.8(9) . . ?
C28 C33 H33A 121.1 . . ?
C32 C33 H33A 121.1 . . ?
C35 C34 C39 116.8(9) . . ?
C35 C34 C19 123.4(9) . . ?
C39 C34 C19 119.8(9) . . ?
C36 C35 C34 121.4(10) . . ?
C36 C35 H35A 119.3 . . ?
C34 C35 H35A 119.3 . . ?
C35 C36 C37 122.4(11) . . ?
C35 C36 H36A 118.8 . . ?
C37 C36 H36A 118.8 . . ?
C38 C37 C36 118.1(9) . . ?
C38 C37 H37A 120.9 . . ?
C36 C37 H37A 120.9 . . ?
C37 C38 C39 118.1(10) . . ?
C37 C38 H38A 120.9 . . ?
C39 C38 H38A 120.9 . . ?
C34 C39 C38 123.2(10) . . ?
C34 C39 H39A 118.4 . . ?
C38 C39 H39A 118.4 . . ?
C41 C40 C45 119.4(12) . . ?
C41 C40 C20 114.8(11) . . ?
C45 C40 C20 125.8(12) . . ?
C40 C41 C42 122.2(16) . . ?
C40 C41 H41A 118.9 . . ?
C42 C41 H41A 118.9 . . ?
C43 C42 C41 116.2(16) . . ?
C43 C42 H42A 121.9 . . ?
C41 C42 H42A 121.9 . . ?
C42 C43 C44 123.5(15) . . ?
C42 C43 H43A 118.2 . . ?
C44 C43 H43A 118.2 . . ?
C43 C44 C45 117.4(17) . . ?
C43 C44 H44A 121.3 . . ?
C45 C44 H44A 121.3 . . ?
C40 C45 C44 121.0(16) . . ?
C40 C45 H45A 119.5 . . ?
C44 C45 H45A 119.5 . . ?
C42' C41' H41B 120.1 . . ?
C43' C42' C41' 118.6(15) . . ?
C43' C42' H42B 120.7 . . ?
C41' C42' H42B 120.7 . . ?
C42' C43' C44' 122.9(14) . . ?
C42' C43' H43B 118.5 . . ?
C44' C43' H43B 118.5 . . ?
C43' C44' C45' 116.0(15) . . ?
C43' C44' H44B 122.0 . . ?
C45' C44' H44B 122.0 . . ?
C44' C45' H45B 119.2 . . ?
C51 C46 C47 119.7(8) . . ?
C51 C46 C21 120.6(8) . . ?
C47 C46 C21 119.7(8) . . ?
C46 C47 C48 120.1(9) . . ?
C46 C47 H47A 119.9 . . ?
C48 C47 H47A 119.9 . . ?
C49 C48 C47 118.6(10) . . ?
C49 C48 H48A 120.7 . . ?
C47 C48 H48A 120.7 . . ?
C48 C49 C50 120.7(9) . . ?
C48 C49 H49A 119.7 . . ?
C50 C49 H49A 119.7 . . ?
C49 C50 C51 118.8(9) . . ?
C49 C50 H50A 120.6 . . ?
C51 C50 H50A 120.6 . . ?
C46 C51 C50 122.1(9) . . ?
C46 C51 H51A 119.0 . . ?
C50 C51 H51A 119.0 . . ?
N5 Pt2 N4 81.34(19) . 2_655 ?
N5 Pt2 N4 81.34(19) . . ?
N4 Pt2 N4 162.7(4) 2_655 . ?
N5 Pt2 Cl2 180.000(1) . . ?
N4 Pt2 Cl2 98.66(19) 2_655 . ?
N4 Pt2 Cl2 98.66(19) . . ?
C52 N4 C56 118.6(7) . . ?
C52 N4 Pt2 128.3(6) . . ?
C56 N4 Pt2 113.0(5) . . ?
C57 N5 C57 119.5(10) 2_655 . ?
C57 N5 Pt2 120.3(5) 2_655 . ?
C57 N5 Pt2 120.3(5) . . ?
N4 C52 C53 122.6(9) . . ?
N4 C52 H52A 118.7 . . ?
C53 C52 H52A 118.7 . . ?
C52 C53 C54 118.8(9) . . ?
C52 C53 H53A 120.6 . . ?
C54 C53 H53A 120.6 . . ?
C53 C54 C55 120.4(9) . . ?
C53 C54 H54A 119.8 . . ?
C55 C54 H54A 119.8 . . ?
C56 C55 C54 118.2(8) . . ?
C56 C55 H55A 120.9 . . ?
C54 C55 H55A 120.9 . . ?
N4 C56 C55 121.2(8) . . ?
N4 C56 C57 115.6(7) . . ?
C55 C56 C57 123.2(8) . . ?
C58 C57 N5 122.7(9) . . ?
C58 C57 C56 127.5(8) . . ?
N5 C57 C56 109.7(7) . . ?
C57 C58 C59 118.5(8) . . ?
C57 C58 H58A 120.7 . . ?
C59 C58 H58A 120.7 . . ?
C58 C59 C58 118.0(10) 2_655 . ?
C58 C59 C60 121.0(5) 2_655 . ?
C58 C59 C60 121.0(5) . . ?
C61 C60 C61 119.9(10) 2_655 . ?
C61 C60 C59 120.1(5) 2_655 . ?
C61 C60 C59 120.1(5) . . ?
C62 C61 C60 119.6(7) . . ?
C62 C61 C64 119.0(7) . . ?
C60 C61 C64 121.4(7) . . ?
C61 C62 C63 120.8(7) . . ?
C61 C62 C70 120.0(7) . . ?
C63 C62 C70 119.2(7) . . ?
C62 C63 C62 119.2(10) 2_655 . ?
C62 C63 C76 120.4(5) 2_655 . ?
C62 C63 C76 120.4(5) . . ?
C69 C64 C65 119.5(8) . . ?
C69 C64 C61 119.2(8) . . ?
C65 C64 C61 121.1(8) . . ?
C64 C65 C66 120.1(9) . . ?
C64 C65 H65A 119.9 . . ?
C66 C65 H65A 119.9 . . ?
C67 C66 C65 119.1(9) . . ?
C67 C66 H66A 120.4 . . ?
C65 C66 H66A 120.4 . . ?
C66 C67 C68 120.8(9) . . ?
C66 C67 H67A 119.6 . . ?
C68 C67 H67A 119.6 . . ?
C69 C68 C67 119.1(9) . . ?
C69 C68 H68A 120.5 . . ?
C67 C68 H68A 120.5 . . ?
C68 C69 C64 121.4(9) . . ?
C68 C69 H69A 119.3 . . ?
C64 C69 H69A 119.3 . . ?
C75 C70 C71 118.4(8) . . ?
C75 C70 C62 122.0(7) . . ?
C71 C70 C62 119.5(8) . . ?
C70 C71 C72 119.2(9) . . ?
C70 C71 H71A 120.4 . . ?
C72 C71 H71A 120.4 . . ?
C71 C72 C73 119.9(9) . . ?
C71 C72 H72A 120.1 . . ?
C73 C72 H72A 120.1 . . ?
C74 C73 C72 120.3(9) . . ?
C74 C73 H73A 119.8 . . ?
C72 C73 H73A 119.8 . . ?
C75 C74 C73 119.0(10) . . ?
C75 C74 H74A 120.5 . . ?
C73 C74 H74A 120.5 . . ?
C74 C75 C70 123.0(9) . . ?
C74 C75 H75A 118.5 . . ?
C70 C75 H75A 118.5 . . ?
C77 C76 C77 120.9(12) 2_655 . ?
C77 C76 C63 119.6(6) 2_655 . ?
C77 C76 C63 119.6(6) . . ?
C76 C77 C78 119.8(10) . . ?
C76 C77 H77A 120.1 . . ?
C78 C77 H77A 120.1 . . ?
C77 C78 C79 119.7(12) . . ?
C77 C78 H78A 120.1 . . ?
C79 C78 H78A 120.1 . . ?
C78 C79 C78 119.9(15) 2_655 . ?
C78 C79 H79A 120.0 2_655 . ?
C78 C79 H79A 120.0 . . ?
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 1.900(7) . ?
Pt1 N3 2.024(7) . ?
Pt1 N1 2.031(7) . ?
Pt1 Cl1 2.280(2) . ?
N1 C1 1.299(9) . ?
N1 C5 1.355(9) . ?
N2 C10 1.310(9) . ?
N2 C6 1.374(10) . ?
N3 C15 1.350(10) . ?
N3 C11 1.387(10) . ?
C1 C2 1.390(11) . ?
C1 H1A 0.9500 . ?
C2 C3 1.357(11) . ?
C2 H2A 0.9500 . ?
C3 C4 1.403(11) . ?
C3 H3A 0.9500 . ?
C4 C5 1.344(10) . ?
C4 H4A 0.9500 . ?
C5 C6 1.473(10) . ?
C6 C7 1.401(10) . ?
C7 C8 1.380(10) . ?
C7 H7A 0.9500 . ?
C8 C9 1.393(10) . ?
C8 C16 1.514(10) . ?
C9 C10 1.355(10) . ?
C9 H9A 0.9500 . ?
C10 C11 1.500(11) . ?
C11 C12 1.352(11) . ?
C12 C13 1.406(11) . ?
C12 H12A 0.9500 . ?
C13 C14 1.352(12) . ?
C13 H13A 0.9500 . ?
C14 C15 1.367(12) . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ?
C16 C21 1.405(10) . ?
C16 C17 1.413(10) . ?
C17 C18 1.398(10) . ?
C17 C22 1.495(10) . ?
C18 C19 1.402(10) . ?
C18 C28 1.522(11) . ?
C19 C20 1.397(10) . ?
C19 C34 1.492(11) . ?
C20 C21 1.411(11) . ?
C20 C40 1.499(11) . ?
C21 C46 1.506(10) . ?
C22 C27 1.384(12) . ?
C22 C23 1.389(12) . ?
C23 C24 1.370(13) . ?
C23 H23A 0.9500 . ?
C24 C25 1.322(16) . ?
C24 H24A 0.9500 . ?
C25 C26 1.401(16) . ?
C25 H25A 0.9500 . ?
C26 C27 1.411(12) . ?
C26 H26A 0.9500 . ?
C27 H27A 0.9500 . ?
C28 C29 1.369(11) . ?
C28 C33 1.371(11) . ?
C29 C30 1.386(11) . ?
C29 H29A 0.9500 . ?
C30 C31 1.355(13) . ?
C30 H30A 0.9500 . ?
C31 C32 1.356(13) . ?
C31 H31A 0.9500 . ?
C32 C33 1.399(11) . ?
C32 H32A 0.9500 . ?
C33 H33A 0.9500 . ?
C34 C35 1.350(12) . ?
C34 C39 1.383(12) . ?
C35 C36 1.340(12) . ?
C35 H35A 0.9500 . ?
C36 C37 1.393(13) . ?
C36 H36A 0.9500 . ?
C37 C38 1.361(13) . ?
C37 H37A 0.9500 . ?
C38 C39 1.391(11) . ?
C38 H38A 0.9500 . ?
C39 H39A 0.9500 . ?
C40 C41 1.382(16) . ?
C40 C45 1.383(16) . ?
C41 C42 1.442(17) . ?
C41 H41A 0.9500 . ?
C42 C43 1.39(2) . ?
C42 H42A 0.9500 . ?
C43 C44 1.40(2) . ?
C43 H43A 0.9500 . ?
C44 C45 1.433(16) . ?
C44 H44A 0.9500 . ?
C45 H45A 0.9500 . ?
C41' C42' 1.428(16) . ?
C41' H41B 0.9500 . ?
C42' C43' 1.382(19) . ?
C42' H42B 0.9500 . ?
C43' C44' 1.392(18) . ?
C43' H43B 0.9500 . ?
C44' C45' 1.431(16) . ?
C44' H44B 0.9500 . ?
C45' H45B 0.9500 . ?
C46 C51 1.343(11) . ?
C46 C47 1.387(12) . ?
C47 C48 1.414(12) . ?
C47 H47A 0.9500 . ?
C48 C49 1.383(13) . ?
C48 H48A 0.9500 . ?
C49 C50 1.385(14) . ?
C49 H49A 0.9500 . ?
C50 C51 1.392(11) . ?
C50 H50A 0.9500 . ?
C51 H51A 0.9500 . ?
Pt2 N5 1.926(9) . ?
Pt2 N4 2.011(7) 2_655 ?
Pt2 N4 2.011(6) . ?
Pt2 Cl2 2.315(3) . ?
N4 C52 1.366(10) . ?
N4 C56 1.373(9) . ?
N5 C57 1.352(8) 2_655 ?
N5 C57 1.352(8) . ?
C52 C53 1.367(11) . ?
C52 H52A 0.9500 . ?
C53 C54 1.379(12) . ?
C53 H53A 0.9500 . ?
C54 C55 1.404(11) . ?
C54 H54A 0.9500 . ?
C55 C56 1.392(11) . ?
C55 H55A 0.9500 . ?
C56 C57 1.517(11) . ?
C57 C58 1.344(10) . ?
C58 C59 1.431(9) . ?
C58 H58A 0.9500 . ?
C59 C58 1.431(9) 2_655 ?
C59 C60 1.444(15) . ?
C60 C61 1.421(9) 2_655 ?
C60 C61 1.421(9) . ?
C61 C62 1.387(10) . ?
C61 C64 1.504(10) . ?
C62 C63 1.415(9) . ?
C62 C70 1.495(10) . ?
C63 C62 1.415(9) 2_655 ?
C63 C76 1.509(15) . ?
C64 C69 1.382(11) . ?
C64 C65 1.384(11) . ?
C65 C66 1.399(11) . ?
C65 H65A 0.9500 . ?
C66 C67 1.382(12) . ?
C66 H66A 0.9500 . ?
C67 C68 1.395(12) . ?
C67 H67A 0.9500 . ?
C68 C69 1.367(11) . ?
C68 H68A 0.9500 . ?
C69 H69A 0.9500 . ?
C70 C75 1.386(11) . ?
C70 C71 1.389(11) . ?
C71 C72 1.394(12) . ?
C71 H71A 0.9500 . ?
C72 C73 1.398(13) . ?
C72 H72A 0.9500 . ?
C73 C74 1.367(13) . ?
C73 H73A 0.9500 . ?
C74 C75 1.349(11) . ?
C74 H74A 0.9500 . ?
C75 H75A 0.9500 . ?
C76 C77 1.382(10) 2_655 ?
C76 C77 1.382(9) . ?
C77 C78 1.387(12) . ?
C77 H77A 0.9500 . ?
C78 C79 1.397(12) . ?
C78 H78A 0.9500 . ?
C79 C78 1.397(12) 2_655 ?
C79 H79A 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Pt1 N1 C1 -179.3(7) . . . . ?
N3 Pt1 N1 C1 179.6(7) . . . . ?
Cl1 Pt1 N1 C1 1.1(7) . . . . ?
N2 Pt1 N1 C5 -0.3(5) . . . . ?
N3 Pt1 N1 C5 -1.5(11) . . . . ?
Cl1 Pt1 N1 C5 180.0(4) . . . . ?
N3 Pt1 N2 C10 -1.2(5) . . . . ?
N1 Pt1 N2 C10 179.1(6) . . . . ?
Cl1 Pt1 N2 C10 -21(12) . . . . ?
N3 Pt1 N2 C6 179.4(5) . . . . ?
N1 Pt1 N2 C6 -0.2(5) . . . . ?
Cl1 Pt1 N2 C6 160(11) . . . . ?
N2 Pt1 N3 C15 -178.8(6) . . . . ?
N1 Pt1 N3 C15 -177.6(7) . . . . ?
Cl1 Pt1 N3 C15 0.9(6) . . . . ?
N2 Pt1 N3 C11 1.5(4) . . . . ?
N1 Pt1 N3 C11 2.6(10) . . . . ?
Cl1 Pt1 N3 C11 -178.9(4) . . . . ?
C5 N1 C1 C2 -0.9(11) . . . . ?
Pt1 N1 C1 C2 177.9(5) . . . . ?
N1 C1 C2 C3 -0.9(12) . . . . ?
C1 C2 C3 C4 1.3(11) . . . . ?
C2 C3 C4 C5 0.1(11) . . . . ?
C3 C4 C5 N1 -1.9(11) . . . . ?
C3 C4 C5 C6 -179.0(7) . . . . ?
C1 N1 C5 C4 2.3(11) . . . . ?
Pt1 N1 C5 C4 -176.6(6) . . . . ?
C1 N1 C5 C6 179.8(7) . . . . ?
Pt1 N1 C5 C6 0.8(7) . . . . ?
C10 N2 C6 C7 4.0(10) . . . . ?
Pt1 N2 C6 C7 -176.7(5) . . . . ?
C10 N2 C6 C5 -178.6(6) . . . . ?
Pt1 N2 C6 C5 0.7(8) . . . . ?
C4 C5 C6 N2 176.3(7) . . . . ?
N1 C5 C6 N2 -1.0(9) . . . . ?
C4 C5 C6 C7 -6.6(12) . . . . ?
N1 C5 C6 C7 176.1(7) . . . . ?
N2 C6 C7 C8 -4.5(10) . . . . ?
C5 C6 C7 C8 178.5(7) . . . . ?
C6 C7 C8 C9 1.5(10) . . . . ?
C6 C7 C8 C16 -173.3(6) . . . . ?
C7 C8 C9 C10 2.0(10) . . . . ?
C16 C8 C9 C10 176.7(6) . . . . ?
C6 N2 C10 C9 -0.4(10) . . . . ?
Pt1 N2 C10 C9 -179.7(5) . . . . ?
C6 N2 C10 C11 -180.0(6) . . . . ?
Pt1 N2 C10 C11 0.7(8) . . . . ?
C8 C9 C10 N2 -2.7(10) . . . . ?
C8 C9 C10 C11 176.8(6) . . . . ?
C15 N3 C11 C12 0.3(10) . . . . ?
Pt1 N3 C11 C12 -179.9(6) . . . . ?
C15 N3 C11 C10 178.8(6) . . . . ?
Pt1 N3 C11 C10 -1.5(7) . . . . ?
N2 C10 C11 C12 178.9(7) . . . . ?
C9 C10 C11 C12 -0.7(11) . . . . ?
N2 C10 C11 N3 0.6(8) . . . . ?
C9 C10 C11 N3 -179.0(6) . . . . ?
N3 C11 C12 C13 -0.4(11) . . . . ?
C10 C11 C12 C13 -178.6(6) . . . . ?
C11 C12 C13 C14 0.8(11) . . . . ?
C12 C13 C14 C15 -1.2(12) . . . . ?
C11 N3 C15 C14 -0.7(11) . . . . ?
Pt1 N3 C15 C14 179.6(6) . . . . ?
C13 C14 C15 N3 1.2(12) . . . . ?
C7 C8 C16 C21 60.7(10) . . . . ?
C9 C8 C16 C21 -114.0(8) . . . . ?
C7 C8 C16 C17 -119.0(8) . . . . ?
C9 C8 C16 C17 66.2(10) . . . . ?
C21 C16 C17 C18 2.0(13) . . . . ?
C8 C16 C17 C18 -178.2(8) . . . . ?
C21 C16 C17 C22 -172.7(8) . . . . ?
C8 C16 C17 C22 7.0(12) . . . . ?
C16 C17 C18 C19 0.8(13) . . . . ?
C22 C17 C18 C19 175.5(8) . . . . ?
C16 C17 C18 C28 -175.5(8) . . . . ?
C22 C17 C18 C28 -0.8(12) . . . . ?
C17 C18 C19 C20 -2.2(14) . . . . ?
C28 C18 C19 C20 174.0(8) . . . . ?
C17 C18 C19 C34 173.5(8) . . . . ?
C28 C18 C19 C34 -10.3(13) . . . . ?
C18 C19 C20 C21 0.8(14) . . . . ?
C34 C19 C20 C21 -174.7(8) . . . . ?
C18 C19 C20 C40 176.9(8) . . . . ?
C34 C19 C20 C40 1.4(14) . . . . ?
C17 C16 C21 C20 -3.4(13) . . . . ?
C8 C16 C21 C20 176.9(8) . . . . ?
C17 C16 C21 C46 -179.2(8) . . . . ?
C8 C16 C21 C46 1.0(12) . . . . ?
C19 C20 C21 C16 2.0(13) . . . . ?
C40 C20 C21 C16 -174.2(8) . . . . ?
C19 C20 C21 C46 177.8(8) . . . . ?
C40 C20 C21 C46 1.6(13) . . . . ?
C18 C17 C22 C27 94.7(10) . . . . ?
C16 C17 C22 C27 -90.7(10) . . . . ?
C18 C17 C22 C23 -79.1(10) . . . . ?
C16 C17 C22 C23 95.6(10) . . . . ?
C27 C22 C23 C24 1.0(13) . . . . ?
C17 C22 C23 C24 175.0(8) . . . . ?
C22 C23 C24 C25 0.6(16) . . . . ?
C23 C24 C25 C26 -0.5(18) . . . . ?
C24 C25 C26 C27 -1.2(16) . . . . ?
C23 C22 C27 C26 -2.8(13) . . . . ?
C17 C22 C27 C26 -176.5(8) . . . . ?
C25 C26 C27 C22 2.8(14) . . . . ?
C17 C18 C28 C29 -69.9(11) . . . . ?
C19 C18 C28 C29 113.8(10) . . . . ?
C17 C18 C28 C33 107.9(9) . . . . ?
C19 C18 C28 C33 -68.4(11) . . . . ?
C33 C28 C29 C30 2.3(13) . . . . ?
C18 C28 C29 C30 -180.0(8) . . . . ?
C28 C29 C30 C31 -2.6(14) . . . . ?
C29 C30 C31 C32 3.0(15) . . . . ?
C30 C31 C32 C33 -3.0(14) . . . . ?
C29 C28 C33 C32 -2.2(13) . . . . ?
C18 C28 C33 C32 179.9(7) . . . . ?
C31 C32 C33 C28 2.6(13) . . . . ?
C20 C19 C34 C35 113.3(10) . . . . ?
C18 C19 C34 C35 -62.3(12) . . . . ?
C20 C19 C34 C39 -64.6(12) . . . . ?
C18 C19 C34 C39 119.8(9) . . . . ?
C39 C34 C35 C36 0.2(13) . . . . ?
C19 C34 C35 C36 -177.7(8) . . . . ?
C34 C35 C36 C37 -0.3(15) . . . . ?
C35 C36 C37 C38 0.1(15) . . . . ?
C36 C37 C38 C39 0.3(12) . . . . ?
C35 C34 C39 C38 0.2(12) . . . . ?
C19 C34 C39 C38 178.2(7) . . . . ?
C37 C38 C39 C34 -0.4(12) . . . . ?
C19 C20 C40 C41 -64.2(19) . . . . ?
C21 C20 C40 C41 111.9(18) . . . . ?
C19 C20 C40 C45 114(2) . . . . ?
C21 C20 C40 C45 -70(2) . . . . ?
C45 C40 C41 C42 -2(4) . . . . ?
C20 C40 C41 C42 176(2) . . . . ?
C40 C41 C42 C43 1(4) . . . . ?
C41 C42 C43 C44 3(4) . . . . ?
C42 C43 C44 C45 -7(4) . . . . ?
C41 C40 C45 C44 -2(5) . . . . ?
C20 C40 C45 C44 -180(2) . . . . ?
C43 C44 C45 C40 6(5) . . . . ?
C41' C42' C43' C44' -9(3) . . . . ?
C42' C43' C44' C45' 12(4) . . . . ?
C16 C21 C46 C51 77.0(11) . . . . ?
C20 C21 C46 C51 -98.8(10) . . . . ?
C16 C21 C46 C47 -100.8(10) . . . . ?
C20 C21 C46 C47 83.4(11) . . . . ?
C51 C46 C47 C48 -0.3(12) . . . . ?
C21 C46 C47 C48 177.6(7) . . . . ?
C46 C47 C48 C49 1.6(13) . . . . ?
C47 C48 C49 C50 -2.1(14) . . . . ?
C48 C49 C50 C51 1.2(14) . . . . ?
C47 C46 C51 C50 -0.6(13) . . . . ?
C21 C46 C51 C50 -178.4(8) . . . . ?
C49 C50 C51 C46 0.1(13) . . . . ?
N5 Pt2 N4 C52 -178.7(6) . . . . ?
N4 Pt2 N4 C52 -178.7(6) 2_655 . . . ?
Cl2 Pt2 N4 C52 1.3(6) . . . . ?
N5 Pt2 N4 C56 2.5(4) . . . . ?
N4 Pt2 N4 C56 2.5(4) 2_655 . . . ?
Cl2 Pt2 N4 C56 -177.5(4) . . . . ?
N4 Pt2 N5 C57 -2.1(4) 2_655 . . 2_655 ?
N4 Pt2 N5 C57 177.9(4) . . . 2_655 ?
Cl2 Pt2 N5 C57 -137(100) . . . 2_655 ?
N4 Pt2 N5 C57 177.9(4) 2_655 . . . ?
N4 Pt2 N5 C57 -2.1(4) . . . . ?
Cl2 Pt2 N5 C57 43(100) . . . . ?
C56 N4 C52 C53 -1.8(10) . . . . ?
Pt2 N4 C52 C53 179.4(6) . . . . ?
N4 C52 C53 C54 3.9(11) . . . . ?
C52 C53 C54 C55 -3.4(12) . . . . ?
C53 C54 C55 C56 1.0(11) . . . . ?
C52 N4 C56 C55 -0.8(10) . . . . ?
Pt2 N4 C56 C55 178.2(6) . . . . ?
C52 N4 C56 C57 178.5(6) . . . . ?
Pt2 N4 C56 C57 -2.6(7) . . . . ?
C54 C55 C56 N4 1.2(11) . . . . ?
C54 C55 C56 C57 -178.0(7) . . . . ?
C57 N5 C57 C58 -0.2(5) 2_655 . . . ?
Pt2 N5 C57 C58 179.8(5) . . . . ?
C57 N5 C57 C56 -178.8(6) 2_655 . . . ?
Pt2 N5 C57 C56 1.2(6) . . . . ?
N4 C56 C57 C58 -177.5(7) . . . . ?
C55 C56 C57 C58 1.7(12) . . . . ?
N4 C56 C57 N5 1.0(8) . . . . ?
C55 C56 C57 N5 -179.8(6) . . . . ?
N5 C57 C58 C59 0.4(10) . . . . ?
C56 C57 C58 C59 178.7(6) . . . . ?
C57 C58 C59 C58 -0.2(5) . . . 2_655 ?
C57 C58 C59 C60 179.8(5) . . . . ?
C58 C59 C60 C61 -87.6(5) 2_655 . . 2_655 ?
C58 C59 C60 C61 92.4(5) . . . 2_655 ?
C58 C59 C60 C61 92.4(5) 2_655 . . . ?
C58 C59 C60 C61 -87.6(5) . . . . ?
C61 C60 C61 C62 0.4(5) 2_655 . . . ?
C59 C60 C61 C62 -179.6(5) . . . . ?
C61 C60 C61 C64 178.8(8) 2_655 . . . ?
C59 C60 C61 C64 -1.2(8) . . . . ?
C60 C61 C62 C63 -0.7(10) . . . . ?
C64 C61 C62 C63 -179.2(6) . . . . ?
C60 C61 C62 C70 177.0(6) . . . . ?
C64 C61 C62 C70 -1.5(11) . . . . ?
C61 C62 C63 C62 0.4(5) . . . 2_655 ?
C70 C62 C63 C62 -177.4(8) . . . 2_655 ?
C61 C62 C63 C76 -179.6(5) . . . . ?
C70 C62 C63 C76 2.6(8) . . . . ?
C62 C61 C64 C69 63.9(10) . . . . ?
C60 C61 C64 C69 -114.6(8) . . . . ?
C62 C61 C64 C65 -110.7(9) . . . . ?
C60 C61 C64 C65 70.8(10) . . . . ?
C69 C64 C65 C66 -1.8(12) . . . . ?
C61 C64 C65 C66 172.8(7) . . . . ?
C64 C65 C66 C67 1.4(12) . . . . ?
C65 C66 C67 C68 -0.6(13) . . . . ?
C66 C67 C68 C69 0.2(13) . . . . ?
C67 C68 C69 C64 -0.6(12) . . . . ?
C65 C64 C69 C68 1.4(12) . . . . ?
C61 C64 C69 C68 -173.3(7) . . . . ?
C61 C62 C70 C75 -111.1(9) . . . . ?
C63 C62 C70 C75 66.7(10) . . . . ?
C61 C62 C70 C71 65.5(11) . . . . ?
C63 C62 C70 C71 -116.8(8) . . . . ?
C75 C70 C71 C72 0.8(13) . . . . ?
C62 C70 C71 C72 -175.9(8) . . . . ?
C70 C71 C72 C73 1.5(15) . . . . ?
C71 C72 C73 C74 -3.9(16) . . . . ?
C72 C73 C74 C75 4.0(16) . . . . ?
C73 C74 C75 C70 -1.7(14) . . . . ?
C71 C70 C75 C74 -0.7(13) . . . . ?
C62 C70 C75 C74 175.9(8) . . . . ?
C62 C63 C76 C77 74.3(5) 2_655 . . 2_655 ?
C62 C63 C76 C77 -105.7(5) . . . 2_655 ?
C62 C63 C76 C77 -105.7(5) 2_655 . . . ?
C62 C63 C76 C77 74.3(5) . . . . ?
C77 C76 C77 C78 -0.9(6) 2_655 . . . ?
C63 C76 C77 C78 179.1(6) . . . . ?
C76 C77 C78 C79 1.9(12) . . . . ?
C77 C78 C79 C78 -0.9(6) . . . 2_655 ?
