#------------------------------------------------------------------------------
#$Date: 2018-07-10 12:13:45 +0300 (Tue, 10 Jul 2018) $
#$Revision: 208944 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/02/66/7026606.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_7026606
loop_
_publ_author_name
'Mandal, Sutanuva'
'Castiñeiras, Alfonso'
'Mondal, Tapan K.'
'Mondal, Arindam'
'Chattopadhyay, Dhrubajyoti'
'Goswami, Sreebrata'
_publ_section_title
;
 An unusual (H(2)O)(20) discrete water cluster in the supramolecular host
 of a charge transfer platinum(ii) complex: cytotoxicity and DNA cleavage
 activities.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9514
_journal_page_last               9522
_journal_paper_doi               10.1039/c0dt00527d
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C20 H20 N3 Pt S, 10/3(H2 O), Cl'
_chemical_formula_sum            'C20 H26.66667 Cl N3 O3.33333 Pt S'
_chemical_formula_weight         625.04
_chemical_name_systematic
;
?
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   35.0648(3)
_cell_length_b                   35.0648(3)
_cell_length_c                   9.4475(3)
_cell_measurement_reflns_used    35944
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.6
_cell_measurement_theta_min      1.2
_cell_volume                     10059.8(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXL'
_computing_publication_material  'Bruker SHELXL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD AREA DETECTOR'
_diffrn_measurement_method       'phi 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  0.0586
_diffrn_reflns_av_sigmaI/netI    0.0348
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            35944
_diffrn_reflns_theta_full        26.60
_diffrn_reflns_theta_max         26.60
_diffrn_reflns_theta_min         1.16
_exptl_absorpt_coefficient_mu    6.517
_exptl_absorpt_correction_T_max  0.3556
_exptl_absorpt_correction_T_min  0.3556
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.857
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5496
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.475
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         4686
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0325P)²+8.5536P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0609
_refine_ls_wR_factor_ref         0.0652
_reflns_number_gt                3809
_reflns_number_total             4686
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00527d.txt
_cod_data_source_block           '[1]Cl.3.3H2O'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'constrn' was replaced with the
value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 

2018-05-27
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C60 H80 Cl3 N9 O10 Pt3 S3'
_cod_original_formula_weight         1875.13
_cod_original_formula_moiety         '3(C20 H20 N3 Pt S), 9(H2 O), 3(Cl), O'
_cod_original_formula_units_Z            6
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7026606
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Pt1 Pt 0.145802(5) 0.309165(6) 0.519855(16) 0.02967(7) Uani 1 1 d .
S1 S 0.09881(4) 0.26931(4) 0.34440(11) 0.0335(3) Uani 1 1 d .
N3 N 0.12182(12) 0.34881(12) 0.4920(4) 0.0352(9) Uani 1 1 d .
H3C H 0.1305 0.3706 0.5422 0.042 Uiso 1 1 d R
N1 N 0.19283(11) 0.34624(12) 0.6659(3) 0.0314(8) Uani 1 1 d .
N2 N 0.16899(12) 0.26838(12) 0.5687(4) 0.0331(9) Uani 1 1 d .
C14 C 0.09184(14) 0.34128(15) 0.3889(4) 0.0325(10) Uani 1 1 d .
C15 C 0.07538(15) 0.36957(16) 0.3588(5) 0.0406(11) Uani 1 1 d .
H15 H 0.0842 0.3947 0.4132 0.049 Uiso 1 1 d R
C16 C 0.04606(15) 0.36024(17) 0.2485(5) 0.0429(12) Uani 1 1 d .
H16 H 0.0360 0.3797 0.2280 0.051 Uiso 1 1 d R
C17 C 0.03131(15) 0.32251(18) 0.1679(5) 0.0457(13) Uani 1 1 d .
H17 H 0.0114 0.3167 0.0948 0.055 Uiso 1 1 d R
C18 C 0.04621(15) 0.29368(17) 0.1964(5) 0.0414(12) Uani 1 1 d .
H18 H 0.0366 0.2682 0.1428 0.050 Uiso 1 1 d R
C19 C 0.07604(14) 0.30335(15) 0.3068(4) 0.0336(10) Uani 1 1 d .
C20 C 0.05192(16) 0.22084(16) 0.4214(6) 0.0490(13) Uani 1 1 d .
H20A H 0.0605 0.1997 0.4467 0.074 Uiso 1 1 d R
H20B H 0.0284 0.2081 0.3536 0.074 Uiso 1 1 d R
H20C H 0.0422 0.2293 0.5044 0.074 Uiso 1 1 d R
C1 C 0.20684(15) 0.38798(16) 0.7026(5) 0.0369(11) Uani 1 1 d .
H1 H 0.1933 0.4023 0.6619 0.044 Uiso 1 1 d R
C2 C 0.24029(16) 0.41030(17) 0.7981(5) 0.0439(12) Uani 1 1 d .
H2 H 0.2494 0.4394 0.8211 0.053 Uiso 1 1 d R
C3 C 0.26020(16) 0.38864(19) 0.8594(5) 0.0462(13) Uani 1 1 d .
H3 H 0.2828 0.4030 0.9249 0.055 Uiso 1 1 d R
C4 C 0.24615(16) 0.34595(18) 0.8223(5) 0.0429(12) Uani 1 1 d .
H4 H 0.2587 0.3308 0.8635 0.051 Uiso 1 1 d R
C5 C 0.21320(15) 0.32552(16) 0.7235(4) 0.0361(11) Uani 1 1 d .
C6 C 0.19790(15) 0.28183(16) 0.6689(5) 0.0367(11) Uani 1 1 d .
H6 H 0.2082 0.2638 0.7079 0.044 Uiso 1 1 d R
C7 C 0.15135(15) 0.22446(16) 0.5149(5) 0.0363(11) Uani 1 1 d .
C8 C 0.13347(16) 0.18909(17) 0.6068(5) 0.0422(12) Uani 1 1 d .
H8 H 0.1340 0.1938 0.7039 0.051 Uiso 1 1 d R
C9 C 0.11478(17) 0.14674(17) 0.5533(6) 0.0479(13) Uani 1 1 d .
H9 H 0.1024 0.1230 0.6153 0.057 Uiso 1 1 d R
C10 C 0.11416(17) 0.13916(17) 0.4083(6) 0.0498(13) Uani 1 1 d .
C11 C 0.13302(17) 0.17540(18) 0.3193(6) 0.0475(13) Uani 1 1 d .
H11 H 0.1330 0.1710 0.2223 0.057 Uiso 1 1 d R
C12 C 0.15154(15) 0.21778(17) 0.3698(5) 0.0408(12) Uani 1 1 d .
H12 H 0.1640 0.2416 0.3080 0.049 Uiso 1 1 d R
C13 C 0.0926(2) 0.09319(19) 0.3500(7) 0.079(2) Uani 1 1 d .
H13A H 0.0814 0.0724 0.4264 0.118 Uiso 1 1 d R
H13B H 0.1138 0.0893 0.2972 0.118 Uiso 1 1 d R
H13C H 0.0688 0.0886 0.2889 0.118 Uiso 1 1 d R
O1 O 0.0000 0.0000 0.2472(16) 0.158(5) Uani 1 3 d S
O2 O 0.1623(2) 0.0709(2) 0.0532(6) 0.127(2) Uani 1 1 d .
H2A H 0.1728 0.0825 0.1605 0.190 Uiso 1 1 d R
H2B H 0.1401 0.0353 0.0641 0.190 Uiso 1 1 d R
O3 O -0.0082(2) 0.0643(2) 0.0951(7) 0.143(3) Uani 1 1 d .
H3A H -0.0064 0.0520 0.1860 0.215 Uiso 1 1 d R
H3B H 0.0247 0.0839 0.0677 0.215 Uiso 1 1 d R
O4 O 0.0297(3) 0.1590(3) 0.1185(6) 0.163(3) Uani 1 1 d .
H4A H 0.0511 0.1674 0.0424 0.245 Uiso 1 1 d R
H4B H 0.0126 0.1682 0.0909 0.245 Uiso 1 1 d R
Cl1 Cl 0.22750(5) 0.03420(4) 0.01492(13) 0.0551(4) Uani 1 1 d .
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'
S S 0.1246 0.1234 '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_3
N3 Pt1 N2 174.38(14) .
N3 Pt1 N1 97.74(15) .
N2 Pt1 N1 79.25(15) .
N3 Pt1 S1 84.37(11) .
N2 Pt1 S1 99.03(11) .
N1 Pt1 S1 174.75(10) .
N3 Pt1 Pt1 76.73(10) 16
N2 Pt1 Pt1 108.69(10) 16
N1 Pt1 Pt1 109.18(9) 16
S1 Pt1 Pt1 66.54(3) 16
C19 S1 C20 102.0(2) .
C19 S1 Pt1 99.51(16) .
C20 S1 Pt1 108.81(18) .
C14 N3 Pt1 121.4(3) .
C14 N3 H3C 119.3 .
Pt1 N3 H3C 119.4 .
C1 N1 C5 118.5(4) .
C1 N1 Pt1 127.6(3) .
C5 N1 Pt1 113.8(3) .
C6 N2 C7 119.3(4) .
C6 N2 Pt1 115.4(3) .
C7 N2 Pt1 124.7(3) .
N3 C14 C19 119.0(4) .
N3 C14 C15 124.0(4) .
C19 C14 C15 117.0(4) .
C16 C15 C14 120.3(5) .
C16 C15 H15 119.8 .
C14 C15 H15 119.9 .
C15 C16 C17 121.3(5) .
C15 C16 H16 119.4 .
C17 C16 H16 119.3 .
C18 C17 C16 119.8(4) .
C18 C17 H17 120.2 .
C16 C17 H17 120.0 .
C17 C18 C19 118.8(5) .
C17 C18 H18 120.7 .
C19 C18 H18 120.5 .
C14 C19 C18 122.8(4) .
C14 C19 S1 115.7(3) .
C18 C19 S1 121.5(4) .
S1 C20 H20A 109.6 .
S1 C20 H20B 109.4 .
H20A C20 H20B 109.6 .
S1 C20 H20C 109.4 .
H20A C20 H20C 109.4 .
H20B C20 H20C 109.4 .
N1 C1 C2 122.5(5) .
N1 C1 H1 118.6 .
C2 C1 H1 119.0 .
C1 C2 C3 118.8(5) .
C1 C2 H2 120.5 .
C3 C2 H2 120.7 .
C4 C3 C2 119.2(5) .
C4 C3 H3 120.5 .
C2 C3 H3 120.3 .
C3 C4 C5 119.5(5) .
C3 C4 H4 120.3 .
C5 C4 H4 120.1 .
N1 C5 C4 121.5(5) .
N1 C5 C6 114.1(4) .
C4 C5 C6 124.4(4) .
N2 C6 C5 117.2(4) .
N2 C6 H6 122.3 .
C5 C6 H6 120.5 .
C8 C7 C12 120.4(5) .
C8 C7 N2 120.0(4) .
C12 C7 N2 119.6(4) .
C7 C8 C9 119.5(5) .
C7 C8 H8 120.1 .
C9 C8 H8 120.4 .
C8 C9 C10 121.1(5) .
C8 C9 H9 119.3 .
C10 C9 H9 119.5 .
C11 C10 C9 117.8(5) .
C11 C10 C13 121.0(5) .
C9 C10 C13 121.1(5) .
C12 C11 C10 122.1(5) .
C12 C11 H11 118.9 .
C10 C11 H11 119.0 .
C11 C12 C7 119.0(5) .
C11 C12 H12 120.6 .
C7 C12 H12 120.4 .
C10 C13 H13A 109.6 .
C10 C13 H13B 109.4 .
H13A C13 H13B 109.5 .
C10 C13 H13C 109.3 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
H2A O2 H2B 104.6 .
H3A O3 H3B 102.4 .
H4A O4 H4B 103.9 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N3 1.969(4) .
Pt1 N2 2.020(4) .
Pt1 N1 2.042(3) .
Pt1 S1 2.2613(11) .
Pt1 Pt1 3.8671(3) 16
S1 C19 1.772(5) .
S1 C20 1.824(5) .
N3 C14 1.359(5) .
N3 H3C 0.8177 .
N1 C1 1.336(6) .
N1 C5 1.361(6) .
N2 C6 1.292(5) .
N2 C7 1.435(6) .
C14 C19 1.393(6) .
C14 C15 1.404(6) .
C15 C16 1.383(6) .
C15 H15 0.9290 .
C16 C17 1.383(7) .
C16 H16 0.9325 .
C17 C18 1.377(7) .
C17 H17 0.9291 .
C18 C19 1.394(6) .
C18 H18 0.9313 .
C20 H20A 0.9585 .
C20 H20B 0.9607 .
C20 H20C 0.9598 .
C1 C2 1.373(6) .
C1 H1 0.9297 .
C2 C3 1.389(7) .
C2 H2 0.9287 .
C3 C4 1.367(7) .
C3 H3 0.9302 .
C4 C5 1.375(6) .
C4 H4 0.9291 .
C5 C6 1.442(7) .
C6 H6 0.9445 .
C7 C8 1.381(6) .
C7 C12 1.391(6) .
C8 C9 1.384(7) .
C8 H8 0.9304 .
C9 C10 1.394(7) .
C9 H9 0.9295 .
C10 C11 1.385(7) .
C10 C13 1.502(8) .
C11 C12 1.376(7) .
C11 H11 0.9295 .
C12 H12 0.9309 .
C13 H13A 0.9595 .
C13 H13B 0.9601 .
C13 H13C 0.9597 .
O2 H2A 1.0858 .
O2 H2B 1.0983 .
O3 H3A 0.9780 .
O3 H3B 1.0383 .
O4 H4A 0.9724 .
O4 H4B 0.8503 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N3 H3C Cl1 0.82 2.61 3.410(4) 165.6 9
O2 H2B O3 1.10 2.09 2.825(9) 121.9 3
O2 H2B O4 1.10 2.18 3.177(11) 150.2 3
O3 H3A O1 0.98 2.03 2.808(9) 135.1 .
O3 H3B O3 1.04 2.24 3.007(10) 129.6 11
O4 H4A O2 0.97 1.76 2.658(9) 152.4 12
O4 H4B Cl1 0.85 2.33 3.182(7) 179.9 2
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
N3 Pt1 S1 C19 1.57(17) .
N2 Pt1 S1 C19 177.07(17) .
N1 Pt1 S1 C19 -112.5(12) .
Pt1 Pt1 S1 C19 -76.39(14) 16
N3 Pt1 S1 C20 -104.7(2) .
N2 Pt1 S1 C20 70.8(2) .
N1 Pt1 S1 C20 141.3(12) .
Pt1 Pt1 S1 C20 177.4(2) 16
N2 Pt1 N3 C14 -130.6(15) .
N1 Pt1 N3 C14 172.1(3) .
S1 Pt1 N3 C14 -3.0(3) .
Pt1 Pt1 N3 C14 64.1(3) 16
N3 Pt1 N1 C1 -11.8(4) .
N2 Pt1 N1 C1 173.0(4) .
S1 Pt1 N1 C1 101.6(12) .
Pt1 Pt1 N1 C1 66.7(3) 16
N3 Pt1 N1 C5 172.4(3) .
N2 Pt1 N1 C5 -2.8(3) .
S1 Pt1 N1 C5 -74.1(13) .
Pt1 Pt1 N1 C5 -109.0(3) 16
N3 Pt1 N2 C6 -53.3(16) .
N1 Pt1 N2 C6 4.8(3) .
S1 Pt1 N2 C6 179.7(3) .
Pt1 Pt1 N2 C6 111.6(3) 16
N3 Pt1 N2 C7 117.7(15) .
N1 Pt1 N2 C7 175.7(3) .
S1 Pt1 N2 C7 -9.3(3) .
Pt1 Pt1 N2 C7 -77.5(3) 16
Pt1 N3 C14 C19 3.7(5) .
Pt1 N3 C14 C15 -176.3(3) .
N3 C14 C15 C16 177.7(4) .
C19 C14 C15 C16 -2.3(6) .
C14 C15 C16 C17 1.7(7) .
C15 C16 C17 C18 -0.5(7) .
C16 C17 C18 C19 0.0(7) .
N3 C14 C19 C18 -178.2(4) .
C15 C14 C19 C18 1.8(6) .
N3 C14 C19 S1 -1.8(5) .
C15 C14 C19 S1 178.2(3) .
C17 C18 C19 C14 -0.7(7) .
C17 C18 C19 S1 -176.8(3) .
C20 S1 C19 C14 111.3(4) .
Pt1 S1 C19 C14 -0.4(3) .
C20 S1 C19 C18 -72.3(4) .
Pt1 S1 C19 C18 176.0(3) .
C5 N1 C1 C2 -1.3(6) .
Pt1 N1 C1 C2 -176.9(3) .
N1 C1 C2 C3 -0.3(7) .
C1 C2 C3 C4 0.4(7) .
C2 C3 C4 C5 1.1(7) .
C1 N1 C5 C4 2.9(6) .
Pt1 N1 C5 C4 179.1(3) .
C1 N1 C5 C6 -175.5(4) .
Pt1 N1 C5 C6 0.7(5) .
C3 C4 C5 N1 -2.9(7) .
C3 C4 C5 C6 175.4(4) .
C7 N2 C6 C5 -177.4(4) .
Pt1 N2 C6 C5 -5.9(5) .
N1 C5 C6 N2 3.4(6) .
C4 C5 C6 N2 -174.9(4) .
C6 N2 C7 C8 52.8(6) .
Pt1 N2 C7 C8 -117.8(4) .
C6 N2 C7 C12 -128.6(5) .
Pt1 N2 C7 C12 60.8(5) .
C12 C7 C8 C9 -1.4(7) .
N2 C7 C8 C9 177.1(4) .
C7 C8 C9 C10 0.8(7) .
C8 C9 C10 C11 0.3(8) .
C8 C9 C10 C13 -177.9(5) .
C9 C10 C11 C12 -0.7(8) .
C13 C10 C11 C12 177.5(5) .
C10 C11 C12 C7 0.0(7) .
C8 C7 C12 C11 1.0(7) .
N2 C7 C12 C11 -177.6(4) .
