#------------------------------------------------------------------------------
#$Date: 2016-11-08 21:52:55 +0200 (Tue, 08 Nov 2016) $
#$Revision: 188178 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/09/7040907.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_7040907
loop_
_publ_author_name
'Kobayashi, Atsushi'
'Oizumi, Shiori'
'Shigeta, Yasuhiro'
'Yoshida, Masaki'
'Kato, Masako'
_publ_section_title
;
 Proton-switchable vapochromic behaviour of a
 platinum(ii)-carboxy-terpyridine complex.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17485
_journal_page_last               17494
_journal_paper_doi               10.1039/c6dt03189g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C16 H17 Cl N3 O5.5 Pt'
_chemical_formula_sum            'C16 H17 Cl N3 O5.5 Pt'
_chemical_formula_weight         569.87
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2016-09-03 deposited with the CCDC.
2016-10-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.119(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   6.925(5)
_cell_length_b                   17.917(13)
_cell_length_c                   14.788(11)
_cell_measurement_reflns_used    3393
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.78
_cell_measurement_theta_min      1.75
_cell_volume                     1806(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.68900
_diffrn_reflns_av_R_equivalents  0.0984
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16104
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        24.419
_diffrn_reflns_theta_max         25.837
_diffrn_reflns_theta_min         2.204
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.462
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.095
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1092.00
_exptl_crystal_preparation       ', Luminescent'
_exptl_crystal_size_max          0.075
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.67
_refine_diff_density_min         -3.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3789
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0530
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0752P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1254
_refine_ls_wR_factor_ref         0.1385
_reflns_number_gt                2949
_reflns_number_total             3789
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c6dt03189g2.cif
_cod_data_source_block           1_3-5H2O
_cod_depositor_comments
'Adding full bibliography for 7040907--7040908.cif.'
_cod_database_code               7040907
loop_
_space_group_symop_operation_xyz
+X,+Y,+Z
1/2-X,1/2+Y,-Z
-X,-Y,-Z
1/2+X,1/2-Y,+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_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.77815(5) 0.26731(2) 0.37901(2) 0.02089(15) Uani 1 4 d .
Cl1 Cl 0.7687(4) 0.39045(13) 0.42521(18) 0.0327(6) Uani 1 4 d .
O1 O 0.8580(13) -0.0719(4) 0.1777(6) 0.051(2) Uani 1 4 d .
O2 O 0.6943(12) -0.1077(4) 0.2875(5) 0.0418(19) Uani 1 4 d .
O3 O 0.521(3) 0.4987(10) 0.0442(14) 0.075(8) Uani 0.5 4 d .
O4 O 0.8640(14) 0.5546(5) 0.0158(6) 0.053(2) Uani 1 4 d .
O5 O 0.5370(12) -0.3139(4) 0.1069(6) 0.0389(18) Uani 1 4 d .
O6 O 0.9432(11) -0.3267(4) 0.1437(5) 0.0348(17) Uani 1 4 d .
O7 O 0.343(4) -0.2646(17) 0.141(2) 0.063(9) Uani 0.35 4 d .
N1 N 0.7923(12) 0.2862(4) 0.2448(5) 0.0250(17) Uani 1 4 d .
N2 N 0.7814(11) 0.1639(4) 0.3395(6) 0.0236(16) Uani 1 4 d .
N3 N 0.7673(12) 0.2166(4) 0.5002(6) 0.0239(17) Uani 1 4 d .
C1 C 0.7954(14) 0.3512(5) 0.2023(7) 0.027(2) Uani 1 4 d .
C2 C 0.8080(16) 0.3553(6) 0.1083(7) 0.034(2) Uani 1 4 d .
C3 C 0.8225(16) 0.2919(7) 0.0605(7) 0.034(2) Uani 1 4 d .
C4 C 0.8205(15) 0.2215(6) 0.1042(7) 0.029(2) Uani 1 4 d .
C5 C 0.8041(14) 0.2212(5) 0.1959(7) 0.024(2) Uani 1 4 d .
C6 C 0.7960(14) 0.1518(5) 0.2505(6) 0.0221(19) Uani 1 4 d .
C7 C 0.7990(14) 0.0784(5) 0.2194(7) 0.028(2) Uani 1 4 d .
C8 C 0.7826(15) 0.0211(5) 0.2819(7) 0.026(2) Uani 1 4 d .
C9 C 0.7679(13) 0.0357(5) 0.3726(6) 0.024(2) Uani 1 4 d .
C10 C 0.7704(13) 0.1116(6) 0.4001(6) 0.025(2) Uani 1 4 d .
C11 C 0.7669(15) 0.1402(6) 0.4945(7) 0.028(2) Uani 1 4 d .
C12 C 0.7564(16) 0.0969(6) 0.5701(8) 0.035(2) Uani 1 4 d .
C13 C 0.7438(17) 0.1297(6) 0.6523(7) 0.036(3) Uani 1 4 d .
C14 C 0.7463(16) 0.2067(6) 0.6584(7) 0.034(2) Uani 1 4 d .
C15 C 0.7613(16) 0.2486(6) 0.5809(7) 0.028(2) Uani 1 4 d .
C16 C 0.7809(17) -0.0610(5) 0.2466(7) 0.032(2) Uani 1 4 d .
H1 H 0.78907 0.396 0.23593 0.0328 Uiso 1 4 calc R
H2 H 0.80621 0.40248 0.07878 0.0414 Uiso 1 4 calc R
H3 H 0.83416 0.2945 -0.00245 0.0409 Uiso 1 4 calc R
H4 H 0.82995 0.17631 0.07165 0.0344 Uiso 1 4 calc R
H5 H 0.81173 0.06771 0.15785 0.0336 Uiso 1 4 calc R
H6 H 0.75663 -0.00354 0.41452 0.0290 Uiso 1 4 calc R
H7 H 0.75787 0.04401 0.5652 0.0416 Uiso 1 4 calc R
H8 H 0.73353 0.10003 0.70448 0.0427 Uiso 1 4 calc R
H9 H 0.73795 0.23064 0.71487 0.0406 Uiso 1 4 calc R
H10 H 0.76746 0.30141 0.58567 0.0337 Uiso 1 4 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 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Cl Cl 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt 0.0000 0.0000
;
International Tables for Crystallography
(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_publ_flag
_geom_angle_site_symmetry_3
Cl1 Pt1 N1 98.0(2) yes .
Cl1 Pt1 N2 179.1(2) yes .
Cl1 Pt1 N3 99.2(2) yes .
N1 Pt1 N2 82.0(3) yes .
N1 Pt1 N3 162.9(3) yes .
N2 Pt1 N3 80.9(3) yes .
O5 O7 O6 98.7(14) yes 4_445
Pt1 N1 C1 128.1(7) yes .
Pt1 N1 C5 112.9(6) yes .
C1 N1 C5 119.0(9) yes .
Pt1 N2 C6 116.8(6) yes .
Pt1 N2 C10 118.2(7) yes .
C6 N2 C10 125.0(8) yes .
Pt1 N3 C11 113.2(7) yes .
Pt1 N3 C15 127.8(7) yes .
C11 N3 C15 119.0(9) yes .
N1 C1 C2 121.6(9) yes .
C1 C2 C3 119.6(10) yes .
C2 C3 C4 120.1(10) yes .
C3 C4 C5 117.4(9) yes .
N1 C5 C4 122.3(9) yes .
N1 C5 C6 114.1(9) yes .
C4 C5 C6 123.6(9) yes .
N2 C6 C5 114.2(8) yes .
N2 C6 C7 118.6(9) yes .
C5 C6 C7 127.2(9) yes .
C6 C7 C8 117.9(9) yes .
C7 C8 C9 121.8(9) yes .
C7 C8 C16 117.9(9) yes .
C9 C8 C16 120.2(8) yes .
C8 C9 C10 117.3(9) yes .
N2 C10 C9 119.3(9) yes .
N2 C10 C11 114.0(9) yes .
C9 C10 C11 126.7(9) yes .
N3 C11 C10 113.6(9) yes .
N3 C11 C12 120.9(9) yes .
C10 C11 C12 125.4(9) yes .
C11 C12 C13 120.1(10) yes .
C12 C13 C14 119.0(10) yes .
C13 C14 C15 119.2(10) yes .
N3 C15 C14 121.7(9) yes .
O1 C16 O2 127.2(9) yes .
O1 C16 C8 116.2(9) yes .
O2 C16 C8 116.5(10) yes .
N1 C1 H1 119.212 no .
C2 C1 H1 119.229 no .
C1 C2 H2 120.180 no .
C3 C2 H2 120.185 no .
C2 C3 H3 119.948 no .
C4 C3 H3 119.928 no .
C3 C4 H4 121.302 no .
C5 C4 H4 121.296 no .
C6 C7 H5 121.061 no .
C8 C7 H5 121.069 no .
C8 C9 H6 121.330 no .
C10 C9 H6 121.325 no .
C11 C12 H7 119.956 no .
C13 C12 H7 119.971 no .
C12 C13 H8 120.485 no .
C14 C13 H8 120.486 no .
C13 C14 H9 120.401 no .
C15 C14 H9 120.423 no .
N3 C15 H10 119.133 no .
C14 C15 H10 119.135 no .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Pt1 Cl1 2.314(3) yes .
Pt1 N1 2.033(8) yes .
Pt1 N2 1.944(8) yes .
Pt1 N3 2.023(8) yes .
O1 C16 1.246(15) yes .
O2 C16 1.245(13) yes .
O3 O3 1.29(3) yes 3_665
O5 O7 1.76(3) yes .
O6 O7 1.78(3) yes 4_545
N1 C1 1.326(13) yes .
N1 C5 1.381(12) yes .
N2 C6 1.356(13) yes .
N2 C10 1.308(13) yes .
N3 C11 1.371(13) yes .
N3 C15 1.331(13) yes .
C1 C2 1.409(15) yes .
C2 C3 1.351(16) yes .
C3 C4 1.419(15) yes .
C4 C5 1.379(15) yes .
C5 C6 1.489(13) yes .
C6 C7 1.393(13) yes .
C7 C8 1.400(14) yes .
C8 C9 1.387(14) yes .
C8 C16 1.560(13) yes .
C9 C10 1.419(14) yes .
C10 C11 1.491(14) yes .
C11 C12 1.373(15) yes .
C12 C13 1.367(16) yes .
C13 C14 1.382(16) yes .
C14 C15 1.388(15) yes .
C1 H1 0.950 no .
C2 H2 0.950 no .
C3 H3 0.950 no .
C4 H4 0.950 no .
C7 H5 0.950 no .
C9 H6 0.950 no .
C12 H7 0.950 no .
C13 H8 0.950 no .
C14 H9 0.950 no .
C15 H10 0.950 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Cl1 C1 3.408(11) no .
Cl1 C15 3.437(11) no .
O1 C7 2.809(13) no .
O2 C7 3.594(12) no .
O2 C9 2.866(12) no .
O5 O6 2.780(11) no .
O5 O7 2.52(3) no 4_545
O7 O7 3.50(4) no 4_445
O7 O7 3.50(4) no 4_545
N1 C3 2.771(14) no .
N2 C8 2.698(12) no .
N3 C13 2.763(14) no .
C1 C4 2.760(14) no .
C2 C5 2.733(15) no .
C4 C7 3.095(14) no .
C6 C9 2.783(13) no .
C7 C10 2.778(15) no .
C9 C12 3.134(15) no .
C11 C14 2.726(15) no .
C12 C15 2.722(15) no .
Pt1 Pt1 3.518(2) no 4_455
Pt1 Pt1 3.518(2) no 4_555
Pt1 N3 3.555(8) no 4_555
Cl1 N2 3.527(8) no 4_455
Cl1 C10 3.405(10) no 4_455
Cl1 C10 3.559(10) no 4_555
Cl1 C11 3.466(11) no 4_555
O1 O3 2.77(2) no 4_555
O1 O5 2.697(12) no 4_545
O1 O6 3.362(12) no 4_445
O1 O7 2.98(3) no 4_545
O1 C13 3.545(13) no 3_756
O2 O6 2.762(10) no 4_445
O2 O7 3.43(3) no 4_545
O2 C13 3.332(15) no 3_656
O2 C14 3.429(14) no 2_646
O2 C15 3.210(13) no 2_646
O3 O1 2.77(2) no 4_455
O3 O4 2.68(2) no .
O3 O4 2.82(2) no 3_665
O3 O5 3.48(2) no 1_565
O3 C2 3.28(2) no .
O3 C7 3.52(3) no 4_455
O4 O3 2.68(2) no .
O4 O3 2.82(2) no 3_665
O4 O4 2.811(13) no 3_765
O4 O6 2.836(11) no 1_565
O4 C2 3.549(15) no 3_765
O4 C4 3.595(13) no 2_655
O4 C7 3.489(14) no 2_655
O5 O1 2.697(12) no 4_445
O5 O3 3.48(2) no 1_545
O5 C3 3.395(14) no 2_645
O5 C3 3.212(12) no 3_655
O5 C4 3.495(14) no 2_645
O5 C14 3.550(13) no 2_646
O6 O1 3.362(12) no 4_545
O6 O2 2.762(10) no 4_545
O6 O4 2.836(11) no 1_545
O6 O7 2.99(3) no 1_655
O6 C13 3.572(14) no 2_646
O6 C14 3.463(14) no 2_646
O6 C16 3.253(12) no 4_545
O7 O1 2.98(3) no 4_445
O7 O2 3.43(3) no 4_445
O7 O6 2.99(3) no 1_455
O7 C3 3.04(3) no 3_655
O7 C14 3.30(3) no 3_656
O7 C16 3.55(3) no 4_445
N1 N2 3.545(11) no 4_555
N1 C4 3.554(12) no 4_455
N1 C5 3.333(13) no 4_455
N2 Cl1 3.527(8) no 4_555
N2 N1 3.545(11) no 4_455
N3 Pt1 3.555(8) no 4_455
N3 C15 3.476(13) no 4_555
C1 C4 3.597(14) no 4_455
C1 C6 3.414(13) no 4_555
C2 O3 3.28(2) no .
C2 O4 3.549(15) no 3_765
C3 O5 3.395(14) no 2_655
C3 O5 3.212(12) no 3_655
C3 O7 3.04(3) no 3_655
C3 C4 3.403(15) no 4_555
C3 C5 3.583(14) no 4_555
C4 O4 3.595(13) no 2_645
C4 O5 3.495(14) no 2_655
C4 N1 3.554(12) no 4_555
C4 C1 3.597(14) no 4_555
C4 C3 3.403(15) no 4_455
C4 C5 3.538(14) no 4_555
C5 N1 3.333(13) no 4_555
C5 C3 3.583(14) no 4_455
C5 C4 3.538(14) no 4_455
C6 C1 3.414(13) no 4_455
C7 O3 3.52(3) no 4_555
C7 O4 3.489(14) no 2_645
C10 Cl1 3.559(10) no 4_455
C10 Cl1 3.405(10) no 4_555
C11 Cl1 3.466(11) no 4_455
C13 O1 3.545(13) no 3_756
C13 O2 3.332(15) no 3_656
C13 O6 3.572(14) no 2_656
C13 C16 3.585(15) no 3_756
C14 O2 3.429(14) no 2_656
C14 O5 3.550(13) no 2_656
C14 O6 3.463(14) no 2_656
C14 O7 3.30(3) no 3_656
C14 C15 3.448(15) no 4_455
C15 O2 3.210(13) no 2_656
C15 N3 3.476(13) no 4_455
C15 C14 3.448(15) no 4_555
C15 C15 3.463(16) no 4_455
C15 C15 3.463(16) no 4_555
C16 O6 3.253(12) no 4_445
C16 O7 3.55(3) no 4_545
C16 C13 3.585(15) no 3_756
Pt1 H1 3.1393 no .
Pt1 H10 3.1302 no .
Cl1 H1 2.8291 no .
Cl1 H10 2.8606 no .
O1 H5 2.5316 no .
O2 H6 2.6283 no .
N1 H2 3.2346 no .
N1 H4 3.2762 no .
N2 H5 3.2296 no .
N2 H6 3.2135 no .
N3 H7 3.2422 no .
N3 H9 3.2256 no .
C1 H3 3.2487 no .
C2 H4 3.2612 no .
C3 H1 3.2357 no .
C4 H2 3.2642 no .
C4 H5 2.8705 no .
C5 H1 3.1934 no .
C5 H3 3.2535 no .
C5 H5 2.8084 no .
C6 H4 2.7312 no .
C7 H4 2.8393 no .
C7 H6 3.2961 no .
C9 H5 3.2926 no .
C9 H7 2.8657 no .
C10 H7 2.7401 no .
C11 H6 2.8300 no .
C11 H8 3.2348 no .
C11 H10 3.1870 no .
C12 H6 2.9205 no .
C12 H9 3.2314 no .
C13 H10 3.2433 no .
C14 H7 3.2310 no .
C15 H8 3.2527 no .
C16 H5 2.6813 no .
C16 H6 2.7204 no .
H1 H2 2.3506 no .
H2 H3 2.3033 no .
H3 H4 2.3869 no .
H4 H5 2.3417 no .
H6 H7 2.3842 no .
H7 H8 2.3238 no .
H8 H9 2.3450 no .
H9 H10 2.3318 no .
Cl1 H6 3.0663 no 2_656
Cl1 H7 2.7628 no 2_656
O1 H8 3.0923 no 3_756
O2 H8 2.9887 no 3_656
O2 H9 2.9364 no 2_646
O2 H10 2.4631 no 2_646
O3 H2 2.6044 no .
O3 H2 3.1821 no 3_665
O3 H4 3.4541 no 4_455
O3 H5 2.6818 no 4_455
O4 H2 2.9307 no .
O4 H2 2.9807 no 3_765
O4 H3 3.4440 no 3_765
O4 H4 2.7605 no 2_655
O4 H5 2.6517 no 2_655
O5 H3 2.7279 no 2_645
O5 H3 2.7782 no 3_655
O5 H4 2.9512 no 2_645
O5 H8 3.3353 no 2_646
O5 H9 2.9271 no 2_646
O6 H3 3.3702 no 2_645
O6 H3 2.8646 no 3_755
O6 H4 3.4072 no 2_645
O6 H8 3.0377 no 2_646
O6 H9 2.8148 no 2_646
O6 H9 3.2536 no 3_756
O7 H3 3.4586 no 2_645
O7 H3 2.2622 no 3_655
O7 H4 3.5390 no 3_655
O7 H9 3.2860 no 2_646
O7 H9 2.3716 no 3_656
N3 H10 3.4872 no 4_555
C1 H4 3.4896 no 4_455
C2 H4 3.3081 no 4_455
C3 H4 3.4906 no 4_455
C3 H4 3.5351 no 4_555
C4 H3 3.4706 no 4_455
C6 H1 3.5828 no 4_455
C6 H1 3.5635 no 4_555
C7 H1 3.3908 no 4_555
C9 H7 3.5510 no 3_756
C13 H10 3.4979 no 4_455
C14 H9 3.5426 no 4_555
C14 H10 3.3050 no 4_455
C15 H9 3.5580 no 4_555
C15 H10 3.5479 no 4_455
C16 H8 3.3860 no 3_756
C16 H10 3.5536 no 2_646
H1 C6 3.5635 no 4_455
H1 C6 3.5828 no 4_555
H1 C7 3.3908 no 4_455
H1 H5 3.3679 no 4_455
H2 O3 2.6044 no .
H2 O3 3.1821 no 3_665
H2 O4 2.9307 no .
H2 O4 2.9807 no 3_765
H2 H4 3.5721 no 4_455
H2 H5 3.5313 no 4_555
H3 O4 3.4440 no 3_765
H3 O5 2.7279 no 2_655
H3 O5 2.7782 no 3_655
H3 O6 3.3702 no 2_655
H3 O6 2.8646 no 3_755
H3 O7 3.4586 no 2_655
H3 O7 2.2622 no 3_655
H3 C4 3.4706 no 4_555
H3 H4 3.4556 no 4_555
H4 O3 3.4541 no 4_555
H4 O4 2.7605 no 2_645
H4 O5 2.9512 no 2_655
H4 O6 3.4072 no 2_655
H4 O7 3.5390 no 3_655
H4 C1 3.4896 no 4_555
H4 C2 3.3081 no 4_555
H4 C3 3.5351 no 4_455
H4 C3 3.4906 no 4_555
H4 H2 3.5721 no 4_555
H4 H3 3.4556 no 4_455
H5 O3 2.6818 no 4_555
H5 O4 2.6517 no 2_645
H5 H1 3.3679 no 4_555
H5 H2 3.5313 no 4_455
H6 Cl1 3.0663 no 2_646
H6 H7 3.4009 no 3_756
H6 H10 3.4986 no 2_646
H7 Cl1 2.7628 no 2_646
H7 C9 3.5510 no 3_756
H7 H6 3.4009 no 3_756
H8 O1 3.0923 no 3_756
H8 O2 2.9887 no 3_656
H8 O5 3.3353 no 2_656
H8 O6 3.0377 no 2_656
H8 C16 3.3860 no 3_756
H9 O2 2.9364 no 2_656
H9 O5 2.9271 no 2_656
H9 O6 2.8148 no 2_656
H9 O6 3.2536 no 3_756
H9 O7 3.2860 no 2_656
H9 O7 2.3716 no 3_656
H9 C14 3.5426 no 4_455
H9 C15 3.5580 no 4_455
H9 H9 3.5315 no 4_455
H9 H9 3.5315 no 4_555
H9 H10 3.5227 no 4_455
H10 O2 2.4631 no 2_656
H10 N3 3.4872 no 4_455
H10 C13 3.4979 no 4_555
H10 C14 3.3050 no 4_555
H10 C15 3.5479 no 4_555
H10 C16 3.5536 no 2_656
H10 H6 3.4986 no 2_656
H10 H9 3.5227 no 4_555
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_publ_flag
Cl1 Pt1 N1 C1 0.3(7) no
Cl1 Pt1 N1 C5 178.7(4) no
Cl1 Pt1 N3 C11 178.8(4) no
Cl1 Pt1 N3 C15 -1.4(7) no
N1 Pt1 N2 C6 1.7(5) no
N1 Pt1 N2 C10 -178.6(6) no
N2 Pt1 N1 C1 179.3(7) no
N2 Pt1 N1 C5 -2.2(5) no
N2 Pt1 N3 C11 -0.2(5) no
N2 Pt1 N3 C15 179.6(7) no
N3 Pt1 N2 C6 -177.9(6) no
N3 Pt1 N2 C10 1.9(5) no
Pt1 N1 C1 C2 179.2(5) no
Pt1 N1 C5 C4 -178.2(6) no
Pt1 N1 C5 C6 2.3(9) no
C1 N1 C5 C4 0.5(13) no
C1 N1 C5 C6 -179.1(7) no
C5 N1 C1 C2 0.8(13) no
Pt1 N2 C6 C5 -0.9(9) no
Pt1 N2 C6 C7 179.9(5) no
Pt1 N2 C10 C9 178.5(5) no
Pt1 N2 C10 C11 -3.0(10) no
C6 N2 C10 C9 -1.8(13) no
C6 N2 C10 C11 176.7(7) no
C10 N2 C6 C5 179.4(7) no
C10 N2 C6 C7 0.2(13) no
Pt1 N3 C11 C10 -1.2(10) no
Pt1 N3 C11 C12 -178.8(6) no
Pt1 N3 C15 C14 177.4(6) no
C11 N3 C15 C14 -2.8(14) no
C15 N3 C11 C10 179.0(8) no
C15 N3 C11 C12 1.3(14) no
N1 C1 C2 C3 -1.8(15) no
C1 C2 C3 C4 1.5(15) no
C2 C3 C4 C5 -0.3(15) no
C3 C4 C5 N1 -0.7(14) no
C3 C4 C5 C6 178.8(8) no
N1 C5 C6 N2 -1.0(11) no
N1 C5 C6 C7 178.1(8) no
C4 C5 C6 N2 179.5(8) no
C4 C5 C6 C7 -1.5(15) no
N2 C6 C7 C8 1.3(13) no
C5 C6 C7 C8 -177.7(8) no
C6 C7 C8 C9 -1.3(14) no
C6 C7 C8 C16 178.5(7) no
C7 C8 C9 C10 -0.1(13) no
C7 C8 C16 O1 23.3(13) no
C7 C8 C16 O2 -153.2(9) no
C9 C8 C16 O1 -156.8(8) no
C9 C8 C16 O2 26.7(13) no
C16 C8 C9 C10 -180.0(7) no
C8 C9 C10 N2 1.6(12) no
C8 C9 C10 C11 -176.6(8) no
N2 C10 C11 N3 2.6(11) no
N2 C10 C11 C12 -179.8(8) no
C9 C10 C11 N3 -179.0(8) no
C9 C10 C11 C12 -1.4(15) no
N3 C11 C12 C13 0.8(15) no
C10 C11 C12 C13 -176.6(8) no
C11 C12 C13 C14 -1.4(16) no
C12 C13 C14 C15 0.1(16) no
C13 C14 C15 N3 2.1(16) no
