#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/62/2226295.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2226295
loop_
_publ_author_name
'Zhang, Guiju'
'Li, Quan'
'Fu, Wenfu'
'Wang, Daqi'
_publ_section_title
;
 {4'-[4-(4,4'-Bipyridin-1-ylmethyl)phenyl]-2,2':6',2''-terpyridine}chloridoplatinum(II)
 bis(perchlorate) acetonitrile disolvate sesquihydrate
;
_journal_coeditor_code           SJ2800
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m681
_journal_paper_doi               10.1107/S1600536810017782
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Pt Cl (C32 H24 N5)] (Cl O4)2, 2C2 H3 N, 1.5H2 O'
_chemical_formula_moiety
;
(C32 H24 Cl N5 Pt 2+), 2(C2 H3 N) 2(Cl O4), 1.5(H2 O)
;
_chemical_formula_sum            'C36 H33 Cl3 N7 O9.5 Pt'
_chemical_formula_weight         1017.14
_chemical_name_systematic
;
{4'-[4-(4,4'-Bipyridin-1-ylmethyl)phenyl]-2,2':6',2''-
terpyridine}chloridoplatinum(II) bis(perchlorate) acetonitrile disolvate
sesquihydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.3900(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.3990(15)
_cell_length_b                   14.5018(15)
_cell_length_c                   41.279(4)
_cell_measurement_reflns_used    3681
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      2.963
_cell_volume                     8020.7(14)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       'φ and ω 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  0.1430
_diffrn_reflns_av_sigmaI/netI    0.1881
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            41405
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.762
_exptl_absorpt_correction_T_max  0.5508
_exptl_absorpt_correction_T_min  0.5200
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.685
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4024
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         3.133
_refine_diff_density_min         -1.616
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1022
_refine_ls_number_reflns         14131
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.2257
_refine_ls_R_factor_gt           0.1138
_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)+(0.1592P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2945
_refine_ls_wR_factor_ref         0.3388
_reflns_number_gt                5677
_reflns_number_total             14131
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj2800.cif
_cod_data_source_block           I
_cod_original_cell_volume        8020.8(14)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C36 H33 Cl3 N7 O9.5 Pt1'
_cod_database_code               2226295
_cod_database_fobs_code          2226295
loop_
_symmetry_equiv_pos_as_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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt1 1.00170(8) 0.10758(6) 1.01667(2) 0.0650(4) Uani d . 1 . .
Pt Pt2 0.53663(9) 0.11377(6) 0.48389(2) 0.0829(4) Uani d . 1 . .
Cl Cl1 0.0671(10) 0.0539(12) 0.5808(4) 0.164(5) Uani d . 1 . .
Cl Cl2 0.5896(12) 0.5208(11) 0.7315(5) 0.175(5) Uani d . 1 . .
Cl Cl3 0.4122(12) -0.0009(10) 0.7348(4) 0.168(5) Uani d . 1 . .
Cl Cl4 0.4248(7) 0.0004(8) 0.0713(3) 0.125(3) Uani d . 1 . .
Cl Cl5 1.0569(4) 0.0586(3) 1.06877(12) 0.0551(13) Uani d . 1 . .
Cl Cl6 0.5889(6) 0.0758(4) 0.43079(13) 0.086(2) Uani d . 1 . .
N N1 0.9535(18) 0.1489(12) 0.9734(5) 0.067(5) Uani d . 1 . .
N N2 1.1315(15) 0.1115(12) 0.9954(5) 0.074(6) Uani d . 1 . .
N N3 0.8571(17) 0.1189(13) 1.0260(6) 0.079(6) Uani d . 1 . .
N N4 0.755(2) 0.3066(18) 0.7641(6) 0.099(7) Uani d . 1 . .
N N5 0.688(2) 0.0280(17) 0.6237(6) 0.107(8) Uani d . 1 . .
N N6 0.496(2) 0.1483(14) 0.5265(6) 0.085(7) Uani d . 1 . .
N N7 0.670(2) 0.1392(14) 0.5035(6) 0.090(7) Uani d . 1 . .
N N8 0.3955(18) 0.0981(13) 0.4785(5) 0.081(6) Uani d . 1 . .
N N9 0.276(2) 0.2922(18) 0.7373(6) 0.102(8) Uani d . 1 . .
N N10 0.210(3) 0.0023(18) 0.8747(6) 0.112(8) Uani d . 1 . .
N N11 1.044(3) 0.227(3) 0.4477(10) 0.171(15) Uani d . 1 . .
N N12 0.745(5) 0.504(4) 0.6440(16) 0.27(3) Uani d . 1 . .
N N13 0.497(3) 0.381(3) 0.8142(9) 0.154(13) Uani d . 1 . .
N N14 0.208(3) 0.286(3) 0.8722(10) 0.162(14) Uani d . 1 . .
O O1 0.089(3) 0.148(3) 0.5762(11) 0.27(2) Uani d . 1 . .
O O2 0.005(4) 0.043(5) 0.6071(13) 0.47(5) Uani d . 1 . .
O O3 0.156(3) 0.006(4) 0.5856(10) 0.35(3) Uani d . 1 . .
O O4 0.020(5) 0.021(5) 0.5527(16) 0.38(3) Uani d . 1 . .
O O5 0.574(5) 0.581(5) 0.7056(18) 0.39(3) Uani d . 1 . .
O O6 0.686(5) 0.484(4) 0.7293(18) 0.48(5) Uani d . 1 . .
O O7 0.520(5) 0.449(6) 0.7302(16) 0.50(6) Uani d . 1 . .
O O8 0.580(7) 0.568(7) 0.761(2) 0.48(5) Uani d . 1 . .
O O9 0.465(4) -0.066(4) 0.7172(13) 0.31(2) Uani d . 1 . .
O O10 0.313(3) -0.027(3) 0.7382(11) 0.33(3) Uani d . 1 . .
O O11 0.421(3) 0.087(3) 0.7216(10) 0.252(18) Uani d . 1 . .
O O12 0.457(7) 0.011(5) 0.765(2) 0.65(9) Uani d . 1 . .
O O13 0.466(2) -0.027(3) 0.0417(7) 0.214(16) Uani d . 1 . .
O O14 0.413(4) 0.096(3) 0.0707(12) 0.32(3) Uani d . 1 . .
O O15 0.489(3) -0.024(3) 0.0965(10) 0.239(16) Uani d . 1 . .
O O16 0.3319(18) -0.041(2) 0.0752(9) 0.224(15) Uani d . 1 . .
O O17 0.021(3) 0.345(4) 0.6881(10) 0.33(3) Uani d . 1 . .
H H17C 0.0247 0.3997 0.6950 0.400 Uiso d R 1 . .
H H17D 0.0128 0.3452 0.6677 0.400 Uiso d R 1 . .
O O18 0.497(4) 0.216(3) 0.1285(13) 0.38(3) Uani d . 1 . .
H H18C 0.5250 0.2574 0.1173 0.450 Uiso d R 1 . .
H H18D 0.4697 0.1775 0.1156 0.450 Uiso d R 1 . .
O O19 0.917(6) 0.590(5) 0.6892(18) 0.52(5) Uani d . 1 . .
H H19C 0.9489 0.5565 0.7027 0.624 Uiso d R 1 . .
H H19D 0.8730 0.5564 0.6798 0.624 Uiso d R 1 . .
C C1 1.0300(19) 0.1675(15) 0.9510(6) 0.065(6) Uani d . 1 . .
C C2 0.995(2) 0.1954(15) 0.9202(6) 0.074(7) Uani d . 1 . .
H H2 1.0409 0.2039 0.9035 0.088 Uiso calc R 1 . .
C C3 0.893(2) 0.2106(16) 0.9142(6) 0.073(7) Uani d . 1 . .
C C4 0.824(2) 0.1924(16) 0.9392(7) 0.078(7) Uani d . 1 . .
H H4 0.7568 0.1989 0.9346 0.093 Uiso calc R 1 . .
C C5 0.853(2) 0.1650(16) 0.9702(7) 0.070(7) Uani d . 1 . .
C C6 1.133(2) 0.1401(15) 0.9633(7) 0.071(7) Uani d . 1 . .
C C7 1.211(2) 0.1420(16) 0.9419(7) 0.079(7) Uani d . 1 . .
H H7 1.2028 0.1576 0.9202 0.095 Uiso calc R 1 . .
C C8 1.304(2) 0.1183(16) 0.9557(7) 0.084(8) Uani d . 1 . .
H H8 1.3615 0.1193 0.9431 0.101 Uiso calc R 1 . .
C C9 1.309(2) 0.0935(16) 0.9882(7) 0.085(8) Uani d . 1 . .
H H9 1.3710 0.0782 0.9973 0.102 Uiso calc R 1 . .
C C10 1.225(2) 0.0911(16) 1.0073(7) 0.082(8) Uani d . 1 . .
H H10 1.2320 0.0752 1.0290 0.098 Uiso calc R 1 . .
C C11 0.798(2) 0.1477(17) 0.9999(7) 0.078(7) Uani d . 1 . .
C C12 0.695(2) 0.1630(16) 1.0016(7) 0.079(7) Uani d . 1 . .
H H12 0.6595 0.1810 0.9832 0.095 Uiso calc R 1 . .
C C13 0.646(2) 0.1513(17) 1.0309(7) 0.083(7) Uani d . 1 . .
H H13 0.5782 0.1638 1.0325 0.100 Uiso calc R 1 . .
C C14 0.699(2) 0.1210(16) 1.0576(7) 0.081(7) Uani d . 1 . .
H H14 0.6678 0.1090 1.0771 0.097 Uiso calc R 1 . .
C C15 0.802(2) 0.1087(16) 1.0543(7) 0.082(7) Uani d . 1 . .
H H15 0.8372 0.0921 1.0729 0.099 Uiso calc R 1 . .
C C16 0.857(2) 0.2462(18) 0.8811(6) 0.084(7) Uani d . 1 . .
C C17 0.928(2) 0.2789(18) 0.8595(7) 0.089(8) Uani d . 1 . .
H H17 0.9955 0.2748 0.8646 0.107 Uiso calc R 1 . .
C C18 0.898(2) 0.318(2) 0.8302(7) 0.100(9) Uani d . 1 . .
H H18 0.9451 0.3399 0.8158 0.120 Uiso calc R 1 . .
C C19 0.797(3) 0.324(2) 0.8226(7) 0.096(8) Uani d . 1 . .
C C20 0.726(2) 0.291(2) 0.8442(8) 0.101(9) Uani d . 1 . .
H H20 0.6584 0.2954 0.8391 0.121 Uiso calc R 1 . .
C C21 0.756(2) 0.2523(19) 0.8734(7) 0.093(8) Uani d . 1 . .
H H21 0.7088 0.2303 0.8879 0.112 Uiso calc R 1 . .
C C22 0.761(2) 0.374(2) 0.7931(7) 0.101(9) Uani d . 1 . .
H H22A 0.8063 0.4245 0.7881 0.121 Uiso calc R 1 . .
H H22B 0.6955 0.4006 0.7971 0.121 Uiso calc R 1 . .
C C23 0.823(2) 0.310(2) 0.7389(7) 0.104(9) Uani d . 1 . .
H H23 0.8770 0.3500 0.7392 0.125 Uiso calc R 1 . .
C C24 0.806(2) 0.249(2) 0.7132(7) 0.104(9) Uani d . 1 . .
H H24 0.8532 0.2475 0.6968 0.125 Uiso calc R 1 . .
C C25 0.724(3) 0.192(2) 0.7104(7) 0.100(9) Uani d . 1 . .
C C26 0.661(2) 0.193(2) 0.7368(7) 0.103(9) Uani d . 1 . .
H H26 0.6086 0.1511 0.7369 0.124 Uiso calc R 1 . .
C C27 0.672(2) 0.251(2) 0.7630(7) 0.101(9) Uani d . 1 . .
H H27 0.6252 0.2521 0.7795 0.122 Uiso calc R 1 . .
C C28 0.781(3) 0.048(2) 0.6364(8) 0.108(10) Uani d . 1 . .
H H28 0.8375 0.0220 0.6271 0.129 Uiso calc R 1 . .
C C29 0.790(3) 0.106(2) 0.6631(8) 0.110(10) Uani d . 1 . .
H H29 0.8527 0.1270 0.6690 0.131 Uiso calc R 1 . .
C C30 0.709(3) 0.133(2) 0.6809(8) 0.103(9) Uani d . 1 . .
C C31 0.617(3) 0.103(2) 0.6700(7) 0.101(9) Uani d . 1 . .
H H31 0.5609 0.1150 0.6822 0.121 Uiso calc R 1 . .
C C32 0.606(3) 0.054(2) 0.6414(8) 0.103(9) Uani d . 1 . .
H H32 0.5428 0.0395 0.6340 0.124 Uiso calc R 1 . .
C C33 0.561(3) 0.170(2) 0.5499(8) 0.093(9) Uani d . 1 . .
C C34 0.530(3) 0.2014(17) 0.5799(7) 0.092(9) Uani d . 1 . .
H H34 0.5770 0.2237 0.5946 0.110 Uiso calc R 1 . .
C C35 0.431(3) 0.2003(17) 0.5884(7) 0.085(8) Uani d . 1 . .
C C36 0.364(2) 0.1746(17) 0.5633(7) 0.089(8) Uani d . 1 . .
H H36 0.2960 0.1782 0.5673 0.107 Uiso calc R 1 . .
C C37 0.395(3) 0.1446(17) 0.5334(7) 0.085(8) Uani d . 1 . .
C C38 0.667(3) 0.171(2) 0.5354(8) 0.098(9) Uani d . 1 . .
C C39 0.753(3) 0.1968(19) 0.5525(8) 0.099(9) Uani d . 1 . .
H H39 0.7468 0.2157 0.5739 0.119 Uiso calc R 1 . .
C C40 0.848(3) 0.1950(18) 0.5382(8) 0.099(9) Uani d . 1 . .
H H40 0.9058 0.2091 0.5498 0.118 Uiso calc R 1 . .
C C41 0.850(3) 0.170(2) 0.5055(9) 0.104(9) Uani d . 1 . .
H H41 0.9094 0.1742 0.4942 0.125 Uiso calc R 1 . .
C C42 0.764(3) 0.1401(19) 0.4894(8) 0.099(9) Uani d . 1 . .
H H42 0.7696 0.1195 0.4682 0.119 Uiso calc R 1 . .
C C43 0.334(3) 0.1154(17) 0.5051(7) 0.085(8) Uani d . 1 . .
C C44 0.231(3) 0.1084(18) 0.5069(7) 0.092(9) Uani d . 1 . .
H H44 0.1964 0.1257 0.5253 0.110 Uiso calc R 1 . .
C C45 0.184(2) 0.0736(17) 0.4792(7) 0.090(8) Uani d . 1 . .
H H45 0.1164 0.0582 0.4803 0.108 Uiso calc R 1 . .
C C46 0.234(3) 0.0613(18) 0.4504(7) 0.091(8) Uani d . 1 . .
H H46 0.1996 0.0486 0.4312 0.110 Uiso calc R 1 . .
C C47 0.338(3) 0.0689(17) 0.4511(7) 0.090(8) Uani d . 1 . .
H H47 0.3728 0.0537 0.4323 0.108 Uiso calc R 1 . .
C C48 0.397(3) 0.2339(19) 0.6212(7) 0.092(8) Uani d . 1 . .
C C49 0.461(2) 0.2842(19) 0.6410(7) 0.097(9) Uani d . 1 . .
H H49 0.5269 0.2936 0.6348 0.117 Uiso calc R 1 . .
C C50 0.427(3) 0.3202(19) 0.6701(7) 0.100(9) Uani d . 1 . .
H H50 0.4699 0.3539 0.6834 0.119 Uiso calc R 1 . .
C C51 0.329(3) 0.306(2) 0.6794(7) 0.100(9) Uani d . 1 . .
C C52 0.264(3) 0.256(2) 0.6595(7) 0.103(9) Uani d . 1 . .
H H52 0.1986 0.2463 0.6657 0.123 Uiso calc R 1 . .
C C53 0.299(3) 0.2197(19) 0.6305(7) 0.097(9) Uani d . 1 . .
H H53 0.2555 0.1861 0.6172 0.116 Uiso calc R 1 . .
C C54 0.290(2) 0.3566(19) 0.7086(7) 0.103(9) Uani d . 1 . .
H H54A 0.2264 0.3851 0.7032 0.123 Uiso calc R 1 . .
H H54B 0.3363 0.4052 0.7145 0.123 Uiso calc R 1 . .
C C55 0.350(3) 0.284(2) 0.7604(9) 0.116(11) Uani d . 1 . .
H H55 0.4085 0.3171 0.7583 0.139 Uiso calc R 1 . .
C C56 0.337(3) 0.226(2) 0.7869(8) 0.111(10) Uani d . 1 . .
H H56 0.3873 0.2223 0.8025 0.133 Uiso calc R 1 . .
C C57 0.250(3) 0.174(2) 0.7905(8) 0.109(10) Uani d . 1 . .
C C58 0.175(3) 0.190(2) 0.7679(8) 0.110(10) Uani d . 1 . .
H H58 0.1137 0.1599 0.7708 0.132 Uiso calc R 1 . .
C C59 0.186(3) 0.248(2) 0.7405(7) 0.107(10) Uani d . 1 . .
H H59 0.1343 0.2565 0.7255 0.128 Uiso calc R 1 . .
C C60 0.128(3) 0.038(2) 0.8590(8) 0.117(11) Uani d . 1 . .
H H60 0.0645 0.0246 0.8667 0.140 Uiso calc R 1 . .
C C61 0.139(3) 0.096(2) 0.8310(7) 0.111(10) Uani d . 1 . .
H H61 0.0830 0.1197 0.8203 0.133 Uiso calc R 1 . .
C C62 0.236(3) 0.115(2) 0.8200(8) 0.113(10) Uani d . 1 . .
C C63 0.320(3) 0.078(2) 0.8361(8) 0.113(10) Uani d . 1 . .
H H63 0.3843 0.0925 0.8297 0.135 Uiso calc R 1 . .
C C64 0.302(3) 0.020(2) 0.8615(8) 0.114(10) Uani d . 1 . .
H H64 0.3567 -0.0097 0.8708 0.137 Uiso calc R 1 . .
C C65 1.010(4) 0.223(3) 0.4218(14) 0.17(2) Uani d . 1 . .
C C66 0.955(4) 0.225(3) 0.3905(11) 0.20(2) Uani d . 1 . .
H H66A 0.8852 0.2360 0.3945 0.303 Uiso calc R 1 . .
H H66B 0.9624 0.1672 0.3795 0.303 Uiso calc R 1 . .
H H66C 0.9805 0.2737 0.3771 0.303 Uiso calc R 1 . .
C C67 0.725(6) 0.425(5) 0.6406(18) 0.24(3) Uani d . 1 . .
C C68 0.720(3) 0.329(3) 0.6295(9) 0.154(14) Uani d . 1 . .
H H68A 0.6862 0.3256 0.6090 0.231 Uiso calc R 1 . .
H H68B 0.6850 0.2923 0.6451 0.231 Uiso calc R 1 . .
H H68C 0.7868 0.3049 0.6272 0.231 Uiso calc R 1 . .
C C69 0.459(4) 0.453(4) 0.8142(11) 0.161(17) Uani d . 1 . .
C C70 0.409(4) 0.544(3) 0.8068(11) 0.20(2) Uani d . 1 . .
H H70A 0.4479 0.5768 0.7912 0.301 Uiso calc R 1 . .
H H70B 0.4045 0.5794 0.8263 0.301 Uiso calc R 1 . .
H H70C 0.3436 0.5324 0.7983 0.301 Uiso calc R 1 . .
C C71 0.198(4) 0.359(4) 0.8609(14) 0.19(2) Uani d . 1 . .
C C72 0.195(4) 0.461(4) 0.8581(12) 0.21(2) Uani d . 1 . .
H H72A 0.1360 0.4840 0.8684 0.321 Uiso calc R 1 . .
H H72B 0.1940 0.4781 0.8356 0.321 Uiso calc R 1 . .
H H72C 0.2529 0.4871 0.8684 0.321 Uiso calc R 1 . .
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N2 Pt1 N3 . . 163.2(9) ?
N2 Pt1 N1 . . 82.7(9) ?
N3 Pt1 N1 . . 80.6(10) ?
N2 Pt1 Cl5 . . 98.2(6) ?
N3 Pt1 Cl5 . . 98.5(7) ?
N1 Pt1 Cl5 . . 179.1(7) ?
N6 Pt2 N8 . . 81.2(11) ?
N6 Pt2 N7 . . 80.8(12) ?
N8 Pt2 N7 . . 162.0(10) ?
N6 Pt2 Cl6 . . 178.2(7) ?
N8 Pt2 Cl6 . . 99.4(6) ?
N7 Pt2 Cl6 . . 98.6(8) ?
O2 Cl1 O3 . . 110(3) ?
O2 Cl1 O4 . . 110(4) ?
O3 Cl1 O4 . . 109(4) ?
O2 Cl1 O1 . . 110(4) ?
O3 Cl1 O1 . . 109(3) ?
O4 Cl1 O1 . . 109(3) ?
O5 Cl2 O8 . . 110(5) ?
O5 Cl2 O7 . . 110(4) ?
O8 Cl2 O7 . . 109(5) ?
O5 Cl2 O6 . . 109(4) ?
O8 Cl2 O6 . . 109(5) ?
O7 Cl2 O6 . . 109(5) ?
O11 Cl3 O9 . . 112(3) ?
O11 Cl3 O10 . . 112(3) ?
O9 Cl3 O10 . . 111(3) ?
O11 Cl3 O12 . . 102(4) ?
O9 Cl3 O12 . . 109(4) ?
O10 Cl3 O12 . . 111(5) ?
O15 Cl4 O16 . . 111(2) ?
O15 Cl4 O14 . . 109(3) ?
O16 Cl4 O14 . . 109(2) ?
O15 Cl4 O13 . . 110(2) ?
O16 Cl4 O13 . . 110(2) ?
O14 Cl4 O13 . . 108(2) ?
C5 N1 C1 . . 128(2) ?
C5 N1 Pt1 . . 116.9(17) ?
C1 N1 Pt1 . . 114.5(16) ?
C10 N2 C6 . . 113(2) ?
C10 N2 Pt1 . . 130(2) ?
C6 N2 Pt1 . . 117.2(17) ?
C15 N3 C11 . . 112(2) ?
C15 N3 Pt1 . . 133(2) ?
C11 N3 Pt1 . . 115.2(19) ?
C27 N4 C23 . . 122(3) ?
C27 N4 C22 . . 116(3) ?
C23 N4 C22 . . 122(3) ?
C32 N5 C28 . . 117(3) ?
C33 N6 C37 . . 120(3) ?
C33 N6 Pt2 . . 122(2) ?
C37 N6 Pt2 . . 118(2) ?
C42 N7 C38 . . 115(3) ?
C42 N7 Pt2 . . 130(2) ?
C38 N7 Pt2 . . 114(2) ?
C43 N8 C47 . . 111(3) ?
C43 N8 Pt2 . . 118(2) ?
C47 N8 Pt2 . . 130.6(18) ?
C55 N9 C59 . . 121(3) ?
C55 N9 C54 . . 121(3) ?
C59 N9 C54 . . 118(3) ?
C60 N10 C64 . . 117(3) ?
H17C O17 H17D . . 109.0 ?
H18C O18 H18D . . 108.0 ?
H19C O19 H19D . . 108.8 ?
C2 C1 N1 . . 114(2) ?
C2 C1 C6 . . 132(3) ?
N1 C1 C6 . . 113(2) ?
C1 C2 C3 . . 121(2) ?
C1 C2 H2 . . 119.5 ?
C3 C2 H2 . . 119.5 ?
C4 C3 C2 . . 119(2) ?
C4 C3 C16 . . 121(2) ?
C2 C3 C16 . . 120(2) ?
C5 C4 C3 . . 123(3) ?
C5 C4 H4 . . 118.3 ?
C3 C4 H4 . . 118.3 ?
N1 C5 C4 . . 114(2) ?
N1 C5 C11 . . 113(2) ?
C4 C5 C11 . . 133(3) ?
C7 C6 N2 . . 130(2) ?
C7 C6 C1 . . 118(3) ?
N2 C6 C1 . . 112(2) ?
C6 C7 C8 . . 114(3) ?
C6 C7 H7 . . 122.8 ?
C8 C7 H7 . . 122.8 ?
C9 C8 C7 . . 119(3) ?
C9 C8 H8 . . 120.4 ?
C7 C8 H8 . . 120.4 ?
C10 C9 C8 . . 121(3) ?
C10 C9 H9 . . 119.3 ?
C8 C9 H9 . . 119.3 ?
N2 C10 C9 . . 123(3) ?
N2 C10 H10 . . 118.7 ?
C9 C10 H10 . . 118.7 ?
C12 C11 N3 . . 124(3) ?
C12 C11 C5 . . 121(3) ?
N3 C11 C5 . . 114(3) ?
C13 C12 C11 . . 120(3) ?
C13 C12 H12 . . 120.1 ?
C11 C12 H12 . . 120.1 ?
C14 C13 C12 . . 119(3) ?
C14 C13 H13 . . 120.4 ?
C12 C13 H13 . . 120.4 ?
C13 C14 C15 . . 118(3) ?
C13 C14 H14 . . 121.0 ?
C15 C14 H14 . . 121.0 ?
C14 C15 N3 . . 126(3) ?
C14 C15 H15 . . 116.8 ?
N3 C15 H15 . . 116.8 ?
C17 C16 C21 . . 120(3) ?
C17 C16 C3 . . 118(3) ?
C21 C16 C3 . . 121(3) ?
C16 C17 C18 . . 120(3) ?
C16 C17 H17 . . 120.0 ?
C18 C17 H17 . . 120.0 ?
C19 C18 C17 . . 120(3) ?
C19 C18 H18 . . 120.0 ?
C17 C18 H18 . . 120.0 ?
C20 C19 C18 . . 120(3) ?
C20 C19 C22 . . 118(3) ?
C18 C19 C22 . . 121(3) ?
C19 C20 C21 . . 120(3) ?
C19 C20 H20 . . 120.0 ?
C21 C20 H20 . . 120.0 ?
C16 C21 C20 . . 120(3) ?
C16 C21 H21 . . 120.0 ?
C20 C21 H21 . . 120.0 ?
C19 C22 N4 . . 109(2) ?
C19 C22 H22A . . 109.8 ?
N4 C22 H22A . . 109.8 ?
C19 C22 H22B . . 109.8 ?
N4 C22 H22B . . 109.8 ?
H22A C22 H22B . . 108.3 ?
N4 C23 C24 . . 117(3) ?
N4 C23 H23 . . 121.7 ?
C24 C23 H23 . . 121.7 ?
C25 C24 C23 . . 125(3) ?
C25 C24 H24 . . 117.7 ?
C23 C24 H24 . . 117.7 ?
C26 C25 C24 . . 115(3) ?
C26 C25 C30 . . 125(3) ?
C24 C25 C30 . . 121(3) ?
C25 C26 C27 . . 124(3) ?
C25 C26 H26 . . 117.8 ?
C27 C26 H26 . . 117.8 ?
N4 C27 C26 . . 118(3) ?
N4 C27 H27 . . 121.1 ?
C26 C27 H27 . . 121.1 ?
N5 C28 C29 . . 120(3) ?
N5 C28 H28 . . 120.1 ?
C29 C28 H28 . . 120.1 ?
C30 C29 C28 . . 122(3) ?
C30 C29 H29 . . 118.8 ?
C28 C29 H29 . . 118.8 ?
C29 C30 C31 . . 116(3) ?
C29 C30 C25 . . 120(3) ?
C31 C30 C25 . . 124(3) ?
C32 C31 C30 . . 122(3) ?
C32 C31 H31 . . 118.9 ?
C30 C31 H31 . . 118.9 ?
N5 C32 C31 . . 121(3) ?
N5 C32 H32 . . 119.3 ?
C31 C32 H32 . . 119.3 ?
N6 C33 C34 . . 121(3) ?
N6 C33 C38 . . 109(3) ?
C34 C33 C38 . . 129(3) ?
C35 C34 C33 . . 122(3) ?
C35 C34 H34 . . 119.2 ?
C33 C34 H34 . . 119.2 ?
C34 C35 C36 . . 115(3) ?
C34 C35 C48 . . 121(3) ?
C36 C35 C48 . . 123(3) ?
C37 C36 C35 . . 123(3) ?
C37 C36 H36 . . 118.3 ?
C35 C36 H36 . . 118.3 ?
C36 C37 N6 . . 118(3) ?
C36 C37 C43 . . 129(3) ?
N6 C37 C43 . . 112(3) ?
C39 C38 N7 . . 122(3) ?
C39 C38 C33 . . 124(3) ?
N7 C38 C33 . . 113(3) ?
C38 C39 C40 . . 122(3) ?
C38 C39 H39 . . 119.0 ?
C40 C39 H39 . . 119.0 ?
C41 C40 C39 . . 115(3) ?
C41 C40 H40 . . 122.3 ?
C39 C40 H40 . . 122.3 ?
C42 C41 C40 . . 121(3) ?
C42 C41 H41 . . 119.3 ?
C40 C41 H41 . . 119.3 ?
N7 C42 C41 . . 123(3) ?
N7 C42 H42 . . 118.3 ?
C41 C42 H42 . . 118.3 ?
C44 C43 N8 . . 128(3) ?
C44 C43 C37 . . 121(3) ?
N8 C43 C37 . . 110(3) ?
C43 C44 C45 . . 116(3) ?
C43 C44 H44 . . 122.2 ?
C45 C44 H44 . . 122.2 ?
C46 C45 C44 . . 122(3) ?
C46 C45 H45 . . 119.1 ?
C44 C45 H45 . . 119.1 ?
C45 C46 C47 . . 118(3) ?
C45 C46 H46 . . 121.2 ?
C47 C46 H46 . . 121.2 ?
C46 C47 N8 . . 125(3) ?
C46 C47 H47 . . 117.7 ?
N8 C47 H47 . . 117.7 ?
C53 C48 C49 . . 120(3) ?
C53 C48 C35 . . 119(3) ?
C49 C48 C35 . . 121(3) ?
C50 C49 C48 . . 120(3) ?
C50 C49 H49 . . 120.0 ?
C48 C49 H49 . . 120.0 ?
C51 C50 C49 . . 120(3) ?
C51 C50 H50 . . 120.0 ?
C49 C50 H50 . . 120.0 ?
C50 C51 C52 . . 120(3) ?
C50 C51 C54 . . 119(3) ?
C52 C51 C54 . . 121(3) ?
C51 C52 C53 . . 120(3) ?
C51 C52 H52 . . 120.0 ?
C53 C52 H52 . . 120.0 ?
C48 C53 C52 . . 120(3) ?
C48 C53 H53 . . 120.0 ?
C52 C53 H53 . . 120.0 ?
C51 C54 N9 . . 112(2) ?
C51 C54 H54A . . 109.3 ?
N9 C54 H54A . . 109.3 ?
C51 C54 H54B . . 109.3 ?
N9 C54 H54B . . 109.3 ?
H54A C54 H54B . . 107.9 ?
N9 C55 C56 . . 121(3) ?
N9 C55 H55 . . 119.6 ?
C56 C55 H55 . . 119.6 ?
C55 C56 C57 . . 121(3) ?
C55 C56 H56 . . 119.6 ?
C57 C56 H56 . . 119.6 ?
C58 C57 C56 . . 117(3) ?
C58 C57 C62 . . 123(4) ?
C56 C57 C62 . . 120(3) ?
C57 C58 C59 . . 123(3) ?
C57 C58 H58 . . 118.3 ?
C59 C58 H58 . . 118.3 ?
N9 C59 C58 . . 117(3) ?
N9 C59 H59 . . 121.7 ?
C58 C59 H59 . . 121.7 ?
N10 C60 C61 . . 121(3) ?
N10 C60 H60 . . 119.4 ?
C61 C60 H60 . . 119.4 ?
C62 C61 C60 . . 118(3) ?
C62 C61 H61 . . 121.0 ?
C60 C61 H61 . . 121.0 ?
C63 C62 C61 . . 121(3) ?
C63 C62 C57 . . 120(4) ?
C61 C62 C57 . . 119(4) ?
C64 C63 C62 . . 117(4) ?
C64 C63 H63 . . 121.5 ?
C62 C63 H63 . . 121.5 ?
C63 C64 N10 . . 125(3) ?
C63 C64 H64 . . 117.3 ?
N10 C64 H64 . . 117.3 ?
N11 C65 C66 . . 171(6) ?
C65 C66 H66A . . 109.5 ?
C65 C66 H66B . . 109.5 ?
H66A C66 H66B . . 109.5 ?
C65 C66 H66C . . 109.5 ?
H66A C66 H66C . . 109.5 ?
H66B C66 H66C . . 109.5 ?
N12 C67 C68 . . 165(9) ?
C67 C68 H68A . . 109.5 ?
C67 C68 H68B . . 109.5 ?
H68A C68 H68B . . 109.5 ?
C67 C68 H68C . . 109.5 ?
H68A C68 H68C . . 109.5 ?
H68B C68 H68C . . 109.5 ?
N13 C69 C70 . . 168(5) ?
C69 C70 H70A . . 109.5 ?
C69 C70 H70B . . 109.5 ?
H70A C70 H70B . . 109.5 ?
C69 C70 H70C . . 109.5 ?
H70A C70 H70C . . 109.5 ?
H70B C70 H70C . . 109.5 ?
N14 C71 C72 . . 160(7) ?
C71 C72 H72A . . 109.5 ?
C71 C72 H72B . . 109.5 ?
H72A C72 H72B . . 109.5 ?
C71 C72 H72C . . 109.5 ?
H72A C72 H72C . . 109.5 ?
H72B C72 H72C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 N2 . 1.95(2) ?
Pt1 N3 . 1.98(2) ?
Pt1 N1 . 1.99(2) ?
Pt1 Cl5 . 2.378(5) ?
Pt2 N6 . 1.91(2) ?
Pt2 N8 . 1.92(2) ?
Pt2 N7 . 1.99(3) ?
Pt2 Cl6 . 2.370(5) ?
Cl1 O2 . 1.38(4) ?
Cl1 O3 . 1.40(4) ?
Cl1 O4 . 1.40(7) ?
Cl1 O1 . 1.40(4) ?
Cl2 O5 . 1.40(7) ?
Cl2 O8 . 1.40(9) ?
Cl2 O7 . 1.40(6) ?
Cl2 O6 . 1.40(5) ?
Cl3 O11 . 1.39(4) ?
Cl3 O9 . 1.39(5) ?
Cl3 O10 . 1.39(4) ?
Cl3 O12 . 1.40(6) ?
Cl4 O15 . 1.39(4) ?
Cl4 O16 . 1.39(2) ?
Cl4 O14 . 1.40(4) ?
Cl4 O13 . 1.40(3) ?
N1 C5 . 1.38(3) ?
N1 C1 . 1.41(3) ?
N2 C10 . 1.38(3) ?
N2 C6 . 1.39(3) ?
N3 C15 . 1.40(3) ?
N3 C11 . 1.40(3) ?
N4 C27 . 1.37(3) ?
N4 C23 . 1.39(3) ?
N4 C22 . 1.55(3) ?
N5 C32 . 1.37(3) ?
N5 C28 . 1.38(4) ?
N6 C33 . 1.34(3) ?
N6 C37 . 1.38(3) ?
N7 C42 . 1.39(4) ?
N7 C38 . 1.40(3) ?
N8 C43 . 1.40(3) ?
N8 C47 . 1.43(3) ?
N9 C55 . 1.37(4) ?
N9 C59 . 1.38(4) ?
N9 C54 . 1.52(3) ?
N10 C60 . 1.37(4) ?
N10 C64 . 1.38(4) ?
N11 C65 . 1.16(5) ?
N12 C67 . 1.18(6) ?
N13 C69 . 1.16(5) ?
N14 C71 . 1.16(5) ?
O17 H17C . 0.8499 ?
O17 H17D . 0.8499 ?
O18 H18C . 0.8500 ?
O18 H18D . 0.8502 ?
O19 H19C . 0.8501 ?
O19 H19D . 0.8501 ?
C1 C2 . 1.41(3) ?
C1 C6 . 1.52(3) ?
C2 C3 . 1.41(3) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.41(3) ?
C3 C16 . 1.54(3) ?
C4 C5 . 1.39(3) ?
C4 H4 . 0.9300 ?
C5 C11 . 1.46(3) ?
C6 C7 . 1.37(3) ?
C7 C8 . 1.41(3) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.39(3) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.38(3) ?
C9 H9 . 0.9300 ?
C10 H10 . 0.9300 ?
C11 C12 . 1.40(3) ?
C12 C13 . 1.39(3) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.38(3) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.39(3) ?
C14 H14 . 0.9300 ?
C15 H15 . 0.9300 ?
C16 C17 . 1.39(3) ?
C16 C21 . 1.39(4) ?
C17 C18 . 1.39(3) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.39(4) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.39(4) ?
C19 C22 . 1.50(4) ?
C20 C21 . 1.39(3) ?
C20 H20 . 0.9300 ?
C21 H21 . 0.9300 ?
C22 H22A . 0.9700 ?
C22 H22B . 0.9700 ?
C23 C24 . 1.39(4) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.38(4) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.38(3) ?
C25 C30 . 1.50(4) ?
C26 C27 . 1.38(3) ?
C26 H26 . 0.9300 ?
C27 H27 . 0.9300 ?
C28 C29 . 1.39(4) ?
C28 H28 . 0.9300 ?
C29 C30 . 1.37(4) ?
C29 H29 . 0.9300 ?
C30 C31 . 1.38(4) ?
C31 C32 . 1.38(4) ?
C31 H31 . 0.9300 ?
C32 H32 . 0.9300 ?
C33 C34 . 1.38(4) ?
C33 C38 . 1.54(4) ?
C34 C35 . 1.38(4) ?
C34 H34 . 0.9300 ?
C35 C36 . 1.41(4) ?
C35 C48 . 1.51(4) ?
C36 C37 . 1.38(4) ?
C36 H36 . 0.9300 ?
C37 C43 . 1.48(4) ?
C38 C39 . 1.39(4) ?
C39 C40 . 1.41(4) ?
C39 H39 . 0.9300 ?
C40 C41 . 1.40(4) ?
C40 H40 . 0.9300 ?
C41 C42 . 1.40(4) ?
C41 H41 . 0.9300 ?
C42 H42 . 0.9300 ?
C43 C44 . 1.38(4) ?
C44 C45 . 1.40(4) ?
C44 H44 . 0.9300 ?
C45 C46 . 1.38(3) ?
C45 H45 . 0.9300 ?
C46 C47 . 1.40(4) ?
C46 H46 . 0.9300 ?
C47 H47 . 0.9300 ?
C48 C53 . 1.39(4) ?
C48 C49 . 1.39(4) ?
C49 C50 . 1.39(3) ?
C49 H49 . 0.9300 ?
C50 C51 . 1.39(4) ?
C50 H50 . 0.9300 ?
C51 C52 . 1.39(4) ?
C51 C54 . 1.51(4) ?
C52 C53 . 1.39(3) ?
C52 H52 . 0.9300 ?
C53 H53 . 0.9300 ?
C54 H54A . 0.9700 ?
C54 H54B . 0.9700 ?
C55 C56 . 1.39(4) ?
C55 H55 . 0.9300 ?
C56 C57 . 1.40(4) ?
C56 H56 . 0.9300 ?
C57 C58 . 1.39(4) ?
C57 C62 . 1.51(4) ?
C58 C59 . 1.42(4) ?
C58 H58 . 0.9300 ?
C59 H59 . 0.9300 ?
C60 C61 . 1.44(4) ?
C60 H60 . 0.9300 ?
C61 C62 . 1.41(4) ?
C61 H61 . 0.9300 ?
C62 C63 . 1.40(4) ?
C63 C64 . 1.37(4) ?
C63 H63 . 0.9300 ?
C64 H64 . 0.9300 ?
C65 C66 . 1.49(5) ?
C66 H66A . 0.9600 ?
C66 H66B . 0.9600 ?
C66 H66C . 0.9600 ?
C67 C68 . 1.48(7) ?
C68 H68A . 0.9600 ?
C68 H68B . 0.9600 ?
C68 H68C . 0.9600 ?
C69 C70 . 1.50(6) ?
C70 H70A . 0.9600 ?
C70 H70B . 0.9600 ?
C70 H70C . 0.9600 ?
C71 C72 . 1.49(6) ?
C72 H72A . 0.9600 ?
C72 H72B . 0.9600 ?
C72 H72C . 0.9600 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N2 Pt1 N1 C5 . . . . -178.3(16) ?
N3 Pt1 N1 C5 . . . . 0.2(15) ?
Cl5 Pt1 N1 C5 . . . . -1E1(3) ?
N2 Pt1 N1 C1 . . . . -4.9(14) ?
N3 Pt1 N1 C1 . . . . 173.7(15) ?
Cl5 Pt1 N1 C1 . . . . 16E1(3) ?
N3 Pt1 N2 C10 . . . . 175(2) ?
N1 Pt1 N2 C10 . . . . -180(2) ?
Cl5 Pt1 N2 C10 . . . . 0(2) ?
N3 Pt1 N2 C6 . . . . -4(4) ?
N1 Pt1 N2 C6 . . . . 1.2(15) ?
Cl5 Pt1 N2 C6 . . . . -178.6(15) ?
N2 Pt1 N3 C15 . . . . -171(2) ?
N1 Pt1 N3 C15 . . . . -176(2) ?
Cl5 Pt1 N3 C15 . . . . 4(2) ?
N2 Pt1 N3 C11 . . . . 5(4) ?
N1 Pt1 N3 C11 . . . . 0.0(16) ?
Cl5 Pt1 N3 C11 . . . . 179.9(15) ?
N8 Pt2 N6 C33 . . . . 177(2) ?
N7 Pt2 N6 C33 . . . . -2(2) ?
Cl6 Pt2 N6 C33 . . . . -7E1(3) ?
N8 Pt2 N6 C37 . . . . 1.4(17) ?
N7 Pt2 N6 C37 . . . . -177.7(18) ?
Cl6 Pt2 N6 C37 . . . . 11E1(3) ?
N6 Pt2 N7 C42 . . . . -175(2) ?
N8 Pt2 N7 C42 . . . . -177(2) ?
Cl6 Pt2 N7 C42 . . . . 4(2) ?
N6 Pt2 N7 C38 . . . . -2.7(18) ?
N8 Pt2 N7 C38 . . . . -6(4) ?
Cl6 Pt2 N7 C38 . . . . 175.5(17) ?
N6 Pt2 N8 C43 . . . . -0.9(16) ?
N7 Pt2 N8 C43 . . . . 2(3) ?
Cl6 Pt2 N8 C43 . . . . -179.2(15) ?
N6 Pt2 N8 C47 . . . . -180(2) ?
N7 Pt2 N8 C47 . . . . -177(2) ?
Cl6 Pt2 N8 C47 . . . . 2(2) ?
C5 N1 C1 C2 . . . . -8(3) ?
Pt1 N1 C1 C2 . . . . 179.1(15) ?
C5 N1 C1 C6 . . . . 179.9(19) ?
Pt1 N1 C1 C6 . . . . 7(2) ?
N1 C1 C2 C3 . . . . 5(3) ?
C6 C1 C2 C3 . . . . 175(2) ?
C1 C2 C3 C4 . . . . -4(3) ?
C1 C2 C3 C16 . . . . 177(2) ?
C2 C3 C4 C5 . . . . 4(4) ?
C16 C3 C4 C5 . . . . -176(2) ?
C1 N1 C5 C4 . . . . 9(3) ?
Pt1 N1 C5 C4 . . . . -179.1(15) ?
C1 N1 C5 C11 . . . . -173(2) ?
Pt1 N1 C5 C11 . . . . 0(2) ?
C3 C4 C5 N1 . . . . -6(3) ?
C3 C4 C5 C11 . . . . 176(2) ?
C10 N2 C6 C7 . . . . 7(3) ?
Pt1 N2 C6 C7 . . . . -174.0(19) ?
C10 N2 C6 C1 . . . . -176.8(18) ?
Pt1 N2 C6 C1 . . . . 2(2) ?
C2 C1 C6 C7 . . . . 1(4) ?
N1 C1 C6 C7 . . . . 170.5(19) ?
C2 C1 C6 N2 . . . . -176(2) ?
N1 C1 C6 N2 . . . . -6(3) ?
N2 C6 C7 C8 . . . . -6(4) ?
C1 C6 C7 C8 . . . . 178(2) ?
C6 C7 C8 C9 . . . . 2(3) ?
C7 C8 C9 C10 . . . . 0(4) ?
C6 N2 C10 C9 . . . . -4(3) ?
Pt1 N2 C10 C9 . . . . 176.8(17) ?
C8 C9 C10 N2 . . . . 1(4) ?
C15 N3 C11 C12 . . . . -1(3) ?
Pt1 N3 C11 C12 . . . . -177.7(19) ?
C15 N3 C11 C5 . . . . 176.3(19) ?
Pt1 N3 C11 C5 . . . . 0(3) ?
N1 C5 C11 C12 . . . . 178(2) ?
C4 C5 C11 C12 . . . . -4(4) ?
N1 C5 C11 N3 . . . . 0(3) ?
C4 C5 C11 N3 . . . . 179(2) ?
N3 C11 C12 C13 . . . . 1(4) ?
C5 C11 C12 C13 . . . . -176(2) ?
C11 C12 C13 C14 . . . . -3(4) ?
C12 C13 C14 C15 . . . . 4(4) ?
C13 C14 C15 N3 . . . . -4(4) ?
C11 N3 C15 C14 . . . . 3(3) ?
Pt1 N3 C15 C14 . . . . 178.3(18) ?
C4 C3 C16 C17 . . . . 168(2) ?
C2 C3 C16 C17 . . . . -12(4) ?
C4 C3 C16 C21 . . . . -7(4) ?
C2 C3 C16 C21 . . . . 173(2) ?
C21 C16 C17 C18 . . . . 0(4) ?
C3 C16 C17 C18 . . . . -175(2) ?
C16 C17 C18 C19 . . . . 0(4) ?
C17 C18 C19 C20 . . . . 0(5) ?
C17 C18 C19 C22 . . . . 173(3) ?
C18 C19 C20 C21 . . . . 0(5) ?
C22 C19 C20 C21 . . . . -174(3) ?
C17 C16 C21 C20 . . . . 0(4) ?
C3 C16 C21 C20 . . . . 175(2) ?
C19 C20 C21 C16 . . . . 0(5) ?
C20 C19 C22 N4 . . . . -96(3) ?
C18 C19 C22 N4 . . . . 90(3) ?
C27 N4 C22 C19 . . . . 80(3) ?
C23 N4 C22 C19 . . . . -108(3) ?
C27 N4 C23 C24 . . . . -4(4) ?
C22 N4 C23 C24 . . . . -176(3) ?
N4 C23 C24 C25 . . . . 4(5) ?
C23 C24 C25 C26 . . . . -5(5) ?
C23 C24 C25 C30 . . . . 177(3) ?
C24 C25 C26 C27 . . . . 6(5) ?
C30 C25 C26 C27 . . . . -176(3) ?
C23 N4 C27 C26 . . . . 4(4) ?
C22 N4 C27 C26 . . . . 177(3) ?
C25 C26 C27 N4 . . . . -5(5) ?
C32 N5 C28 C29 . . . . -11(4) ?
N5 C28 C29 C30 . . . . 11(5) ?
C28 C29 C30 C31 . . . . -3(5) ?
C28 C29 C30 C25 . . . . 177(3) ?
C26 C25 C30 C29 . . . . -152(3) ?
C24 C25 C30 C29 . . . . 26(5) ?
C26 C25 C30 C31 . . . . 28(5) ?
C24 C25 C30 C31 . . . . -154(3) ?
C29 C30 C31 C32 . . . . -5(5) ?
C25 C30 C31 C32 . . . . 175(3) ?
C28 N5 C32 C31 . . . . 3(4) ?
C30 C31 C32 N5 . . . . 5(5) ?
C37 N6 C33 C34 . . . . -9(4) ?
Pt2 N6 C33 C34 . . . . 175.2(19) ?
C37 N6 C33 C38 . . . . -179(2) ?
Pt2 N6 C33 C38 . . . . 6(3) ?
N6 C33 C34 C35 . . . . 9(4) ?
C38 C33 C34 C35 . . . . 176(3) ?
C33 C34 C35 C36 . . . . -7(4) ?
C33 C34 C35 C48 . . . . 180(2) ?
C34 C35 C36 C37 . . . . 6(4) ?
C48 C35 C36 C37 . . . . 180(2) ?
C35 C36 C37 N6 . . . . -7(4) ?
C35 C36 C37 C43 . . . . 180(2) ?
C33 N6 C37 C36 . . . . 8(3) ?
Pt2 N6 C37 C36 . . . . -176.1(17) ?
C33 N6 C37 C43 . . . . -177(2) ?
Pt2 N6 C37 C43 . . . . -2(3) ?
C42 N7 C38 C39 . . . . -4(4) ?
Pt2 N7 C38 C39 . . . . -177(2) ?
C42 N7 C38 C33 . . . . 179(2) ?
Pt2 N7 C38 C33 . . . . 6(3) ?
N6 C33 C38 C39 . . . . 176(3) ?
C34 C33 C38 C39 . . . . 7(5) ?
N6 C33 C38 N7 . . . . -7(3) ?
C34 C33 C38 N7 . . . . -176(3) ?
N7 C38 C39 C40 . . . . 2(4) ?
C33 C38 C39 C40 . . . . 179(2) ?
C38 C39 C40 C41 . . . . 3(4) ?
C39 C40 C41 C42 . . . . -7(4) ?
C38 N7 C42 C41 . . . . 0(4) ?
Pt2 N7 C42 C41 . . . . 172(2) ?
C40 C41 C42 N7 . . . . 5(4) ?
C47 N8 C43 C44 . . . . -1(3) ?
Pt2 N8 C43 C44 . . . . -180(2) ?
C47 N8 C43 C37 . . . . 179.3(19) ?
Pt2 N8 C43 C37 . . . . 0(3) ?
C36 C37 C43 C44 . . . . -5(4) ?
N6 C37 C43 C44 . . . . -179(2) ?
C36 C37 C43 N8 . . . . 175(2) ?
N6 C37 C43 N8 . . . . 1(3) ?
N8 C43 C44 C45 . . . . 5(4) ?
C37 C43 C44 C45 . . . . -175(2) ?
C43 C44 C45 C46 . . . . -10(4) ?
C44 C45 C46 C47 . . . . 11(4) ?
C45 C46 C47 N8 . . . . -7(4) ?
C43 N8 C47 C46 . . . . 2(3) ?
Pt2 N8 C47 C46 . . . . -179.2(18) ?
C34 C35 C48 C53 . . . . -171(3) ?
C36 C35 C48 C53 . . . . 15(4) ?
C34 C35 C48 C49 . . . . 13(4) ?
C36 C35 C48 C49 . . . . -160(3) ?
C53 C48 C49 C50 . . . . 0(4) ?
C35 C48 C49 C50 . . . . 175(2) ?
C48 C49 C50 C51 . . . . 0(4) ?
C49 C50 C51 C52 . . . . 0(4) ?
C49 C50 C51 C54 . . . . -172(3) ?
C50 C51 C52 C53 . . . . 0(5) ?
C54 C51 C52 C53 . . . . 172(3) ?
C49 C48 C53 C52 . . . . 0(4) ?
C35 C48 C53 C52 . . . . -176(2) ?
C51 C52 C53 C48 . . . . 0(4) ?
C50 C51 C54 N9 . . . . -108(3) ?
C52 C51 C54 N9 . . . . 81(4) ?
C55 N9 C54 C51 . . . . 96(4) ?
C59 N9 C54 C51 . . . . -89(3) ?
C59 N9 C55 C56 . . . . 4(5) ?
C54 N9 C55 C56 . . . . 179(3) ?
N9 C55 C56 C57 . . . . 1(5) ?
C55 C56 C57 C58 . . . . -5(5) ?
C55 C56 C57 C62 . . . . -178(3) ?
C56 C57 C58 C59 . . . . 6(5) ?
C62 C57 C58 C59 . . . . 178(3) ?
C55 N9 C59 C58 . . . . -4(4) ?
C54 N9 C59 C58 . . . . -179(2) ?
C57 C58 C59 N9 . . . . -1(5) ?
C64 N10 C60 C61 . . . . -3(5) ?
N10 C60 C61 C62 . . . . 0(5) ?
C60 C61 C62 C63 . . . . 0(5) ?
C60 C61 C62 C57 . . . . 180(3) ?
C58 C57 C62 C63 . . . . 160(3) ?
C56 C57 C62 C63 . . . . -28(5) ?
C58 C57 C62 C61 . . . . -20(5) ?
C56 C57 C62 C61 . . . . 152(3) ?
C61 C62 C63 C64 . . . . 3(5) ?
C57 C62 C63 C64 . . . . -176(3) ?
C62 C63 C64 N10 . . . . -7(5) ?
C60 N10 C64 C63 . . . . 7(5) ?
