#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:46:50 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195079 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/22/7042204.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_7042204
loop_
_publ_author_name
'Marcos, Ismael'
'Domarco, Olaya'
'Peinador, Carlos'
'Fenández, Alberto'
'Fernández, Jesús J'
'Vázquez-García, Digna'
'García, Marcos D'
_publ_section_title
;
 Self-assembly of dinuclear Pd(ii)/Pt(ii) metallacyclic receptors
 incorporating N-heterocyclic carbene complexes as corners.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4182
_journal_page_last               4190
_journal_paper_doi               10.1039/c6dt04476j
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C62 H56 Br2 N18 O12 Pt2'
_chemical_formula_weight         1795.24
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-21 deposited with the CCDC.
2017-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                92.670(7)
_cell_angle_beta                 98.160(5)
_cell_angle_gamma                111.839(4)
_cell_formula_units_Z            1
_cell_length_a                   8.9630(6)
_cell_length_b                   12.0248(10)
_cell_length_c                   21.8681(16)
_cell_measurement_reflns_used    130604
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      49.700
_cell_measurement_theta_min      4.308
_cell_volume                     2152.9(3)
_computing_cell_refinement
'SAINT V7.68A (Bruker: Madison, 2009 ) in Apex2 suite.'
_computing_data_collection       'Apex2, Bruker Instrument Service v2010, 1-2'
_computing_data_reduction
'SAINT and XPREP Version 2008/2 (Sheldrick, Bruker AXS Inc.)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'BRUKER APEX X8'
_diffrn_measurement_method       'omega-phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1366
_diffrn_reflns_av_unetI/netI     0.1014
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       27
_diffrn_reflns_number            8888
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.688
_diffrn_reflns_theta_min         0.946
_exptl_absorpt_coefficient_mu    4.231
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS, 2012 Sheldrick, G. M.'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_description       Block
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.156
_exptl_crystal_size_mid          0.115
_exptl_crystal_size_min          0.044
_refine_diff_density_max         2.705
_refine_diff_density_min         -2.552
_refine_diff_density_rms         0.284
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         8888
_refine_ls_number_restraints     150
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.1288
_refine_ls_R_factor_gt           0.0939
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1500P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2516
_refine_ls_wR_factor_ref         0.2707
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5749
_reflns_number_total             8888
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04476j2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:
'__diffrn_measurement_device_type' tag replaced with
'_diffrn_measurement_device_type' tag.

Automatic conversion script
Id: cif_correct_tags 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7042204--7042205.cif.
;
_cod_database_code               7042204
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.558
_shelx_estimated_absorpt_t_max   0.836
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -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_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2772(16) 0.2901(12) 0.9706(7) 0.056(4) Uani 1 1 d . . . . .
C2 C 0.4417(17) 0.3720(12) 1.0637(8) 0.063(4) Uani 1 1 d . . . . .
H2 H 0.5204 0.3863 1.1002 0.076 Uiso 1 1 calc R U . . .
C3 C 0.348(2) 0.4354(13) 1.0482(8) 0.069(4) Uani 1 1 d . . . . .
H3 H 0.3508 0.5049 1.0715 0.083 Uiso 1 1 calc R U . . .
C4 C 0.4698(17) 0.1939(11) 1.0109(8) 0.060(4) Uani 1 1 d . . . . .
H4A H 0.5366 0.2096 0.9775 0.072 Uiso 1 1 calc R U . . .
H4B H 0.5412 0.1972 1.0505 0.072 Uiso 1 1 calc R U . . .
C5 C 0.2138(17) 0.0536(12) 0.9477(7) 0.056(4) Uani 1 1 d . . . . .
C6 C 0.179(2) -0.1040(17) 1.0021(8) 0.076(5) Uani 1 1 d . . . . .
H6 H 0.1310 -0.1825 1.0145 0.091 Uiso 1 1 calc R U . . .
C7 C 0.317(2) -0.0200(13) 1.0286(8) 0.065(4) Uani 1 1 d . . . . .
H7 H 0.3881 -0.0257 1.0637 0.077 Uiso 1 1 calc R U . . .
C8 C 0.123(2) 0.4249(19) 0.9618(12) 0.112(8) Uani 1 1 d . . . . .
H8A H 0.0676 0.3726 0.9230 0.168 Uiso 1 1 calc R U . . .
H8B H 0.0431 0.4205 0.9889 0.168 Uiso 1 1 calc R U . . .
H8C H 0.1753 0.5082 0.9526 0.168 Uiso 1 1 calc R U . . .
C9 C -0.0439(18) -0.1223(13) 0.9112(8) 0.070(4) Uani 1 1 d . . . . .
H9A H -0.0939 -0.2027 0.9244 0.105 Uiso 1 1 calc R U . . .
H9B H -0.1161 -0.0785 0.9140 0.105 Uiso 1 1 calc R U . . .
H9C H -0.0270 -0.1298 0.8681 0.105 Uiso 1 1 calc R U . . .
C10 C 0.2688(19) 0.0414(15) 0.7935(8) 0.068(4) Uani 1 1 d . . . . .
H10 H 0.3760 0.0782 0.8169 0.081 Uiso 1 1 calc R U . . .
C11 C 0.2394(16) -0.0337(16) 0.7386(7) 0.066(4) Uani 1 1 d . . . . .
H11 H 0.3270 -0.0507 0.7263 0.079 Uiso 1 1 calc R U . . .
C12 C 0.0892(15) -0.0833(12) 0.7022(7) 0.051(3) Uani 1 1 d . . . . .
C13 C -0.0389(19) -0.0645(15) 0.7246(7) 0.067(4) Uani 1 1 d . . . . .
H13 H -0.1470 -0.1018 0.7021 0.080 Uiso 1 1 calc R U . . .
C14 C -0.0093(17) 0.0065(13) 0.7779(7) 0.057(3) Uani 1 1 d . . . . .
H14 H -0.0986 0.0190 0.7914 0.069 Uiso 1 1 calc R U . . .
N6 N 0.1408(13) 0.0616(9) 0.8136(5) 0.051(3) Uani 1 1 d . . . . .
C15 C 0.0600(13) -0.1622(10) 0.6438(4) 0.056(3) Uani 1 1 d DG U . . .
C16A C 0.1802(16) -0.199(2) 0.6276(7) 0.068(8) Uani 0.45(3) 1 d G U P A 1
H16A H 0.2807 -0.1781 0.6553 0.081 Uiso 0.45(3) 1 calc R U P A 1
C17A C 0.1534(16) -0.267(2) 0.5710(7) 0.072(8) Uani 0.45(3) 1 d G U P A 1
H17A H 0.2355 -0.2921 0.5599 0.086 Uiso 0.45(3) 1 calc R U P A 1
N7 N 0.0064(12) -0.2976(9) 0.5305(4) 0.057(3) Uani 1 1 d DG U . A .
C18A C -0.1137(15) -0.261(2) 0.5466(7) 0.068(8) Uani 0.45(3) 1 d G U P A 1
H18A H -0.2142 -0.2817 0.5190 0.081 Uiso 0.45(3) 1 calc R U P A 1
C19A C -0.0870(16) -0.193(2) 0.6033(7) 0.066(8) Uani 0.45(3) 1 d G U P A 1
H19A H -0.1691 -0.1677 0.6144 0.079 Uiso 0.45(3) 1 calc R U P A 1
C16B C 0.176(3) -0.139(3) 0.6064(10) 0.074(8) Uani 0.55(3) 1 d D U P A 2
H16B H 0.2767 -0.0726 0.6196 0.089 Uiso 0.55(3) 1 calc R U P A 2
C17B C 0.154(2) -0.205(2) 0.5510(12) 0.066(7) Uani 0.55(3) 1 d D U P A 2
H17B H 0.2394 -0.1873 0.5272 0.079 Uiso 0.55(3) 1 calc R U P A 2
C18B C -0.099(3) -0.331(2) 0.5717(10) 0.068(7) Uani 0.55(3) 1 d D U P A 2
H18B H -0.1908 -0.4048 0.5623 0.081 Uiso 0.55(3) 1 calc R U P A 2
C19B C -0.079(3) -0.2615(19) 0.6259(12) 0.063(7) Uani 0.55(3) 1 d D U P A 2
H19B H -0.1615 -0.2829 0.6510 0.075 Uiso 0.55(3) 1 calc R U P A 2
C20 C -0.0247(19) -0.3626(12) 0.4720(7) 0.059(4) Uani 1 1 d . . . . .
C21 C -0.179(2) -0.429(2) 0.4444(8) 0.102(7) Uani 1 1 d . . . . .
H21 H -0.2666 -0.4345 0.4653 0.123 Uiso 1 1 calc R U . . .
C22 C -0.211(2) -0.4918(19) 0.3849(8) 0.096(7) Uani 1 1 d . . . . .
H22 H -0.3214 -0.5350 0.3654 0.116 Uiso 1 1 calc R U . . .
C23 C -0.0917(17) -0.4919(11) 0.3551(6) 0.053(3) Uani 1 1 d . . . . .
C24 C 0.063(2) -0.4372(18) 0.3872(9) 0.094(7) Uani 1 1 d . . . . .
H24 H 0.1489 -0.4460 0.3695 0.113 Uiso 1 1 calc R U . . .
C25 C 0.101(2) -0.370(2) 0.4436(8) 0.097(7) Uani 1 1 d . . . . .
H25 H 0.2118 -0.3292 0.4631 0.116 Uiso 1 1 calc R U . . .
C26 C -0.130(2) -0.5566(12) 0.2901(7) 0.064(4) Uani 1 1 d . . . . .
H26A H -0.0405 -0.5826 0.2827 0.077 Uiso 1 1 calc R U . . .
H26B H -0.2323 -0.6288 0.2850 0.077 Uiso 1 1 calc R U . . .
C27 C -0.1462(17) -0.4709(11) 0.2457(6) 0.048(3) Uani 1 1 d . . . . .
C28 C -0.3030(18) -0.4667(11) 0.2217(7) 0.058(4) Uani 1 1 d . . . . .
H28 H -0.3991 -0.5231 0.2329 0.069 Uiso 1 1 calc R U . . .
C29 C 0.3148(15) 0.3847(11) 0.8162(6) 0.046(3) Uani 1 1 d . . . . .
H29 H 0.4192 0.3830 0.8299 0.055 Uiso 1 1 calc R U . . .
C30 C 0.0333(18) 0.3101(14) 0.8156(8) 0.066(4) Uani 1 1 d . . . . .
H30 H -0.0609 0.2576 0.8298 0.079 Uiso 1 1 calc R U . . .
C31 C 0.0204(19) 0.3930(16) 0.7748(7) 0.070(4) Uani 1 1 d . . . . .
H31 H -0.0847 0.3936 0.7610 0.083 Uiso 1 1 calc R U . . .
N1 N 0.3996(13) 0.2831(10) 1.0159(5) 0.052(3) Uani 1 1 d . . . . .
N2 N 0.2531(15) 0.3831(10) 0.9947(6) 0.056(3) Uani 1 1 d . . . . .
N3 N 0.3381(14) 0.0759(10) 0.9968(5) 0.052(3) Uani 1 1 d . . . . .
N4 N 0.1112(15) -0.0570(9) 0.9510(6) 0.056(3) Uani 1 1 d . . . . .
N5 N 0.1838(13) 0.3046(11) 0.8354(5) 0.054(3) Uani 1 1 d . . . . .
Pt1 Pt 0.19892(6) 0.17720(4) 0.89395(2) 0.0474(2) Uani 1 1 d . . . . .
Br1 Br 0.6685(2) 0.28157(16) 0.87990(9) 0.0796(5) Uani 1 1 d . . . . .
N1S N 0.218(3) 0.740(3) 0.8522(15) 0.114(11) Uiso 0.5 1 d D U P . .
O1S O 0.199(4) 0.670(3) 0.8939(13) 0.149(15) Uiso 0.5 1 d D U P . .
O2S O 0.103(3) 0.743(2) 0.8173(10) 0.078(6) Uiso 0.5 1 d D U P . .
O3S O 0.362(3) 0.794(7) 0.841(3) 0.34(4) Uiso 0.5 1 d D U P . .
N2S N 0.592(7) 0.749(5) 0.7626(14) 0.173(19) Uiso 0.5 1 d D U P . .
O4S O 0.679(10) 0.697(7) 0.789(2) 0.35(4) Uiso 0.5 1 d D U P . .
O5S O 0.567(4) 0.736(3) 0.7044(13) 0.132(11) Uiso 0.5 1 d D U P . .
O6S O 0.543(3) 0.812(2) 0.7971(11) 0.094(8) Uiso 0.5 1 d D U P . .
N3S N 1.081(4) 0.113(5) 0.5746(19) 0.22(2) Uiso 0.5 1 d D U P . .
O7S O 1.203(4) 0.161(4) 0.6143(18) 0.171(15) Uiso 0.5 1 d D U P . .
O8S O 0.942(4) 0.088(4) 0.5885(18) 0.152(13) Uiso 0.5 1 d D U P . .
O9S O 1.094(6) 0.057(7) 0.526(2) 0.31(3) Uiso 0.5 1 d D U P . .
N4S N 0.631(17) 0.097(8) 0.7422(17) 0.42(4) Uiso 0.5 1 d D U P . .
O10 O 0.649(8) 0.052(6) 0.6923(13) 0.25(3) Uiso 0.5 1 d D U P . .
O11 O 0.60(2) 0.189(10) 0.741(3) 0.62(7) Uiso 0.5 1 d D U P . .
O12 O 0.662(3) 0.0626(19) 0.7938(9) 0.067(5) Uiso 0.5 1 d D U P . .
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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
N2 C1 N1 101.6(12) .
N2 C1 Pt1 138.6(11) .
N1 C1 Pt1 119.7(9) .
C3 C2 N1 105.6(14) .
N2 C3 C2 107.3(13) .
N3 C4 N1 108.4(11) .
N4 C5 N3 104.9(13) .
N4 C5 Pt1 131.7(12) .
N3 C5 Pt1 123.0(10) .
C7 C6 N4 107.9(15) .
C6 C7 N3 106.8(16) .
N6 C10 C11 119.5(13) .
C12 C11 C10 122.0(13) .
C11 C12 C13 117.1(14) .
C11 C12 C15 121.4(12) .
C13 C12 C15 121.3(12) .
C14 C13 C12 120.1(14) .
C13 C14 N6 123.9(14) .
C14 N6 C10 117.2(13) .
C14 N6 Pt1 126.5(9) .
C10 N6 Pt1 116.3(9) .
C19B C15 C16B 117.1(18) .
C16A C15 C19A 120.0 .
C19B C15 C12 122.2(14) .
C16B C15 C12 120.7(14) .
C16A C15 C12 121.2(8) .
C19A C15 C12 118.7(8) .
C17A C16A C15 120.0 .
C16A C17A N7 120.0 .
C18B N7 C17B 117.0(18) .
C18A N7 C17A 120.0 .
C18B N7 C20 122.3(14) .
C17B N7 C20 120.3(14) .
C18A N7 C20 117.8(9) .
C17A N7 C20 122.2(9) .
N7 C18A C19A 120.0 .
C18A C19A C15 120.0 .
C17B C16B C15 124(2) .
C16B C17B N7 119(2) .
C19B C18B N7 123(2) .
C15 C19B C18B 120(2) .
C21 C20 C25 117.8(16) .
C21 C20 N7 120.4(15) .
C25 C20 N7 121.5(14) .
C20 C21 C22 120.8(17) .
C23 C22 C21 121.6(15) .
C22 C23 C24 116.5(15) .
C22 C23 C26 120.7(14) .
C24 C23 C26 122.7(14) .
C25 C24 C23 123.8(16) .
C24 C25 C20 118.7(16) .
C27 C26 C23 107.4(11) .
C31 C27 C28 115.2(12) 2_556
C31 C27 C26 122.9(13) 2_556
C28 C27 C26 121.9(12) .
C29 C28 C27 121.1(12) 2_556
C28 C29 N5 122.4(12) 2_556
N5 C30 C31 119.7(14) .
C27 C31 C30 123.6(14) 2_556
C2 N1 C1 110.7(11) .
C2 N1 C4 126.0(12) .
C1 N1 C4 123.3(12) .
C3 N2 C1 114.8(13) .
C3 N2 C8 124.0(13) .
C1 N2 C8 121.2(13) .
C7 N3 C5 112.0(14) .
C7 N3 C4 127.2(14) .
C5 N3 C4 120.7(12) .
C5 N4 C6 108.3(15) .
C5 N4 C9 127.2(13) .
C6 N4 C9 124.5(14) .
C29 N5 C30 117.8(12) .
C29 N5 Pt1 123.1(8) .
C30 N5 Pt1 119.1(9) .
C5 Pt1 C1 86.2(6) .
C5 Pt1 N5 178.5(5) .
C1 Pt1 N5 95.2(5) .
C5 Pt1 N6 93.0(5) .
C1 Pt1 N6 174.3(4) .
N5 Pt1 N6 85.6(4) .
O2S N1S O1S 121(2) .
O2S N1S O3S 120(2) .
O1S N1S O3S 118.2(19) .
O5S N2S O4S 115.8(19) .
O5S N2S O6S 127(2) .
O4S N2S O6S 117.5(19) .
O7S N3S O9S 118(2) .
O7S N3S O8S 120(2) .
O9S N3S O8S 119(2) .
O10 N4S O12 124(2) .
O10 N4S O11 118(2) .
O12 N4S O11 118(2) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N2 1.316(17) .
C1 N1 1.400(17) .
C1 Pt1 1.972(15) .
C2 C3 1.35(2) .
C2 N1 1.363(18) .
C3 N2 1.319(19) .
C4 N3 1.453(17) .
C4 N1 1.439(16) .
C5 N4 1.318(17) .
C5 N3 1.371(19) .
C5 Pt1 1.968(15) .
C6 C7 1.30(3) .
C6 N4 1.433(19) .
C7 N3 1.341(18) .
C8 N2 1.54(2) .
C9 N4 1.445(19) .
C10 N6 1.381(18) .
C10 C11 1.40(2) .
C11 C12 1.363(19) .
C12 C13 1.40(2) .
C12 C15 1.485(16) .
C13 C14 1.35(2) .
C14 N6 1.360(17) .
N6 Pt1 2.065(11) .
C15 C19B 1.357(15) .
C15 C16B 1.368(15) .
C15 C16A 1.3900 .
C15 C19A 1.3900 .
C16A C17A 1.3900 .
C17A N7 1.3900 .
N7 C18B 1.365(15) .
N7 C17B 1.372(15) .
N7 C18A 1.3900 .
N7 C20 1.402(16) .
C18A C19A 1.3900 .
C16B C17B 1.367(16) .
C18B C19B 1.365(16) .
C20 C21 1.35(2) .
C20 C25 1.39(2) .
C21 C22 1.41(2) .
C22 C23 1.33(2) .
C23 C24 1.36(2) .
C23 C26 1.519(19) .
C24 C25 1.37(2) .
C26 C27 1.482(19) .
C27 C31 1.32(2) 2_556
C27 C28 1.449(19) .
C28 C29 1.340(18) 2_556
C29 C28 1.340(18) 2_556
C29 N5 1.350(16) .
C30 N5 1.384(17) .
C30 C31 1.39(2) .
C31 C27 1.32(2) 2_556
N5 Pt1 2.072(12) .
N1S O2S 1.205(16) .
N1S O1S 1.249(17) .
N1S O3S 1.269(17) .
N2S O5S 1.252(17) .
N2S O4S 1.263(18) .
N2S O6S 1.268(17) .
N3S O7S 1.226(18) .
N3S O9S 1.266(19) .
N3S O8S 1.253(18) .
N4S O10 1.250(18) .
N4S O12 1.247(18) .
N4S O11 1.260(19) .
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_4
N1 C2 C3 N2 1.8(18) . .
N4 C6 C7 N3 0.0(17) . .
N6 C10 C11 C12 3(3) . .
C10 C11 C12 C13 -5(2) . .
C10 C11 C12 C15 179.6(14) . .
C11 C12 C13 C14 4(2) . .
C15 C12 C13 C14 179.3(14) . .
C12 C13 C14 N6 -1(2) . .
C13 C14 N6 C10 -1(2) . .
C13 C14 N6 Pt1 177.3(12) . .
C11 C10 N6 C14 0(2) . .
C11 C10 N6 Pt1 -178.5(12) . .
C11 C12 C15 C19B 141(2) . .
C13 C12 C15 C19B -34(2) . .
C11 C12 C15 C16B -37(2) . .
C13 C12 C15 C16B 148.0(17) . .
C11 C12 C15 C16A 7(2) . .
C13 C12 C15 C16A -167.7(17) . .
C11 C12 C15 C19A -169.0(16) . .
C13 C12 C15 C19A 16(2) . .
C19A C15 C16A C17A 0.0 . .
C12 C15 C16A C17A -176.1(11) . .
C15 C16A C17A N7 0.0 . .
C16A C17A N7 C18A 0.0 . .
C16A C17A N7 C20 178.0(11) . .
C17A N7 C18A C19A 0.0 . .
C20 N7 C18A C19A -178.1(10) . .
N7 C18A C19A C15 0.0 . .
C16A C15 C19A C18A 0.0 . .
C12 C15 C19A C18A 176.2(11) . .
C19B C15 C16B C17B 4.2(18) . .
C12 C15 C16B C17B -177.4(14) . .
C15 C16B C17B N7 2.4(18) . .
C18B N7 C17B C16B -11(2) . .
C20 N7 C17B C16B 175.7(13) . .
C17B N7 C18B C19B 14(3) . .
C20 N7 C18B C19B -173(2) . .
C16B C15 C19B C18B -2(3) . .
C12 C15 C19B C18B 180(2) . .
N7 C18B C19B C15 -7(4) . .
C18B N7 C20 C21 25(3) . .
C17B N7 C20 C21 -162(2) . .
C18A N7 C20 C21 -27(2) . .
C17A N7 C20 C21 154.6(19) . .
C18B N7 C20 C25 -148(2) . .
C17B N7 C20 C25 25(2) . .
C18A N7 C20 C25 159.1(19) . .
C17A N7 C20 C25 -19(2) . .
C25 C20 C21 C22 -8(3) . .
N7 C20 C21 C22 177.9(18) . .
C20 C21 C22 C23 3(4) . .
C21 C22 C23 C24 5(3) . .
C21 C22 C23 C26 -178.1(18) . .
C22 C23 C24 C25 -9(3) . .
C26 C23 C24 C25 174.4(19) . .
C23 C24 C25 C20 4(4) . .
C21 C20 C25 C24 5(3) . .
N7 C20 C25 C24 178.5(18) . .
C22 C23 C26 C27 87.3(19) . .
C24 C23 C26 C27 -96.2(18) . .
C23 C26 C27 C31 86.2(18) . 2_556
C23 C26 C27 C28 -93.6(15) . .
C31 C27 C28 C29 -3(2) 2_556 2_556
C26 C27 C28 C29 176.7(13) . 2_556
N5 C30 C31 C27 -2(3) . 2_556
C3 C2 N1 C1 -0.8(17) . .
C3 C2 N1 C4 178.5(13) . .
N2 C1 N1 C2 -0.5(15) . .
Pt1 C1 N1 C2 177.2(10) . .
N2 C1 N1 C4 -179.8(12) . .
Pt1 C1 N1 C4 -2.2(17) . .
N3 C4 N1 C2 129.7(14) . .
N3 C4 N1 C1 -51.1(17) . .
C2 C3 N2 C1 -2(2) . .
C2 C3 N2 C8 177.7(16) . .
N1 C1 N2 C3 1.8(17) . .
Pt1 C1 N2 C3 -175.2(13) . .
N1 C1 N2 C8 -178.3(15) . .
Pt1 C1 N2 C8 5(3) . .
C6 C7 N3 C5 -1.4(17) . .
C6 C7 N3 C4 176.2(13) . .
N4 C5 N3 C7 2.2(14) . .
Pt1 C5 N3 C7 176.3(9) . .
N4 C5 N3 C4 -175.5(11) . .
Pt1 C5 N3 C4 -1.5(16) . .
N1 C4 N3 C7 -124.6(14) . .
N1 C4 N3 C5 52.8(16) . .
N3 C5 N4 C6 -2.1(13) . .
Pt1 C5 N4 C6 -175.4(10) . .
N3 C5 N4 C9 177.4(12) . .
Pt1 C5 N4 C9 4(2) . .
C7 C6 N4 C5 1.4(16) . .
C7 C6 N4 C9 -178.1(13) . .
C28 C29 N5 C30 -1(2) 2_556 .
C28 C29 N5 Pt1 -179.9(10) 2_556 .
C31 C30 N5 C29 3(2) . .
C31 C30 N5 Pt1 -178.1(12) . .
