#------------------------------------------------------------------------------
#$Date: 2019-11-17 11:33:24 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229616 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/58/7045828.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_7045828
loop_
_publ_author_name
'Ogawa, Tomohiro'
'Sameera, W. M. C.'
'Yoshida, Masaki'
'Kobayashi, Atsushi'
'Kato, Masako'
_publ_section_title
;
 Luminescent ionic liquids based on cyclometalated platinum(ii) complexes
 exhibiting thermochromic behaviour in different colour regions.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5589
_journal_page_last               5594
_journal_paper_doi               10.1039/c8dt00651b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C12 H9 K N4 O0.5 Pt'
_chemical_formula_sum            'C12 H9 K N4 O0.5 Pt'
_chemical_formula_weight         451.42
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2018-01-12 deposited with the CCDC.
2018-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                109.731(2)
_cell_angle_beta                 94.688(2)
_cell_angle_gamma                90.344(3)
_cell_formula_units_Z            8
_cell_length_a                   8.4004(13)
_cell_length_b                   16.506(3)
_cell_length_c                   20.116(4)
_cell_measurement_reflns_used    7155
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.00
_cell_volume                     2615.0(8)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2014/3 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            21080
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.489
_diffrn_reflns_theta_min         3.013
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.998
_exptl_absorpt_correction_T_max  0.577
_exptl_absorpt_correction_T_min  0.281
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.293
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1680.00
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.09
_refine_diff_density_min         -2.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     667
_refine_ls_number_reflns         11795
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0532P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1089
_refine_ls_wR_factor_ref         0.1176
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9064
_reflns_number_total             11795
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c8dt00651b2.cif
_cod_data_source_block           170919_KPtmpi
_cod_depositor_comments          'Adding full bibliography for 7045828.cif.'
_cod_database_code               7045828
_shelxl_version_number           2014-3
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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
Pt1 Pt 0.45343(3) 0.08036(2) 0.30784(2) 0.02446(9) Uani 1 1 d . .
Pt2 Pt 0.20472(3) 0.58228(2) 0.30403(2) 0.02491(9) Uani 1 1 d . .
Pt3 Pt 0.71120(3) -0.08917(2) 0.28289(2) 0.02659(10) Uani 1 1 d . .
Pt4 Pt 0.92686(3) 0.41269(2) 0.28329(2) 0.02914(10) Uani 1 1 d . .
K1 K 0.8952(2) 0.36407(15) 0.48265(13) 0.0465(6) Uani 1 1 d . .
K2 K 0.3474(2) -0.12524(14) 0.47928(12) 0.0378(5) Uani 1 1 d . .
K3 K 0.3921(2) 0.37793(15) 0.46393(13) 0.0462(6) Uani 1 1 d . .
K4 K -0.1363(2) 0.87373(14) 0.47390(12) 0.0398(5) Uani 1 1 d . .
O1 O -0.174(3) 0.7819(16) 0.5540(14) 0.311(12) Uani 1 1 d . U
O2 O 0.348(3) 0.2877(11) 0.5473(8) 0.254(10) Uani 1 1 d . U
N1 N 0.8919(8) 0.0307(5) 0.2167(5) 0.0375(19) Uani 1 1 d . U
N2 N 0.7162(8) 0.5326(5) 0.2223(5) 0.043(2) Uani 1 1 d . U
N3 N 0.3382(7) -0.0151(5) 0.1639(4) 0.0292(16) Uani 1 1 d . .
N4 N 0.3713(7) 0.4137(5) 0.2153(5) 0.0342(19) Uani 1 1 d . .
N5 N 0.2413(7) 0.4845(4) 0.1585(4) 0.0274(16) Uani 1 1 d . .
N6 N 0.2365(7) -0.0850(4) 0.2223(4) 0.0277(16) Uani 1 1 d . .
N7 N 0.3586(9) 0.5354(6) 0.4346(5) 0.045(2) Uani 1 1 d . .
N8 N 0.7592(7) -0.0809(4) 0.1448(4) 0.0290(16) Uani 1 1 d . .
N9 N 0.0857(8) 0.7537(5) 0.4151(5) 0.046(2) Uani 1 1 d . .
N10 N 0.8350(9) 0.5352(6) 0.4339(5) 0.054(3) Uani 1 1 d . .
N11 N 1.1198(9) 0.3109(6) 0.3667(5) 0.053(2) Uani 1 1 d . .
N12 N 0.6407(9) 0.2469(5) 0.4158(5) 0.048(2) Uani 1 1 d . .
N14 N 0.3624(8) 0.0309(5) 0.4393(4) 0.0339(18) Uani 1 1 d . .
N15 N 0.8831(8) 0.0307(5) 0.4275(5) 0.041(2) Uani 1 1 d . .
N16 N 0.5592(9) -0.1892(6) 0.3717(5) 0.053(2) Uani 1 1 d . .
N17 N 0.8103(7) 0.4230(5) 0.1493(4) 0.0331(18) Uani 1 1 d . .
C1 C 0.3318(8) -0.0144(5) 0.2321(4) 0.0224(17) Uani 1 1 d . .
C2 C 0.1930(11) -0.1145(6) 0.2770(5) 0.038(2) Uani 1 1 d . .
H2A H 0.1238 -0.1664 0.2564 0.046 Uiso 1 1 calc R U
H2B H 0.2895 -0.1278 0.3016 0.046 Uiso 1 1 calc R U
H2C H 0.1357 -0.0696 0.3107 0.046 Uiso 1 1 calc R U
C3 C 0.7301(10) 0.4660(7) 0.1089(6) 0.044(3) Uani 1 1 d . .
H3 H 0.7199 0.4503 0.0587 0.052 Uiso 1 1 calc R U
C4 C 0.4497(10) 0.3887(6) 0.2726(5) 0.033(2) Uani 1 1 d . .
H4A H 0.5061 0.3353 0.2525 0.039 Uiso 1 1 calc R U
H4B H 0.5265 0.4344 0.3016 0.039 Uiso 1 1 calc R U
H4C H 0.3693 0.3796 0.3023 0.039 Uiso 1 1 calc R U
C5 C 0.6566(9) -0.1558(5) 0.1259(5) 0.0268(19) Uani 1 1 d . .
C6 C 0.3810(10) 0.3713(6) 0.1450(6) 0.037(2) Uani 1 1 d . .
H6 H 0.4366 0.3200 0.1248 0.044 Uiso 1 1 calc R U
C7 C 0.1449(8) 0.5512(5) 0.1513(4) 0.0225(17) Uani 1 1 d . .
C8 C 1.0051(10) 0.2237(7) 0.0423(6) 0.044(3) Uani 1 1 d . .
H8 H 1.0129 0.1879 -0.0054 0.053 Uiso 1 1 calc R U
C9 C 0.6799(12) 0.5987(6) 0.2880(7) 0.063(4) Uani 1 1 d . U
H9A H 0.6135 0.6418 0.2768 0.076 Uiso 1 1 calc R U
H9B H 0.6222 0.5722 0.3162 0.076 Uiso 1 1 calc R U
H9C H 0.7797 0.6265 0.3150 0.076 Uiso 1 1 calc R U
C10 C 0.4573(9) -0.2943(7) 0.1033(6) 0.043(3) Uani 1 1 d . .
H10 H 0.3856 -0.3421 0.0951 0.051 Uiso 1 1 calc R U
C11 C 0.5097(9) -0.2772(7) 0.0475(6) 0.048(3) Uani 1 1 d . .
H11 H 0.4762 -0.3141 0.0007 0.058 Uiso 1 1 calc R U
C12 C 0.6038(9) 0.1754(6) 0.2160(5) 0.033(2) Uani 1 1 d . .
H12 H 0.6572 0.2149 0.2580 0.040 Uiso 1 1 calc R U
C13 C 0.9025(9) 0.3481(5) 0.1286(5) 0.029(2) Uani 1 1 d . .
C14 C 0.1059(8) 0.6088(5) 0.2164(4) 0.0224(17) Uani 1 1 d . .
C15 C 1.0871(10) 0.2063(7) 0.0990(7) 0.046(3) Uani 1 1 d . .
H15 H 1.1540 0.1583 0.0894 0.055 Uiso 1 1 calc R U
C16 C 0.6092(8) -0.1724(6) 0.1863(5) 0.0272(19) Uani 1 1 d . .
C17 C 0.3062(9) 0.5526(6) 0.3884(5) 0.032(2) Uani 1 1 d . .
C18 C 0.9679(10) 0.0965(6) 0.2868(6) 0.042(3) Uani 1 1 d . U
H18A H 1.0282 0.1412 0.2765 0.051 Uiso 1 1 calc R U
H18B H 0.8836 0.1229 0.3172 0.051 Uiso 1 1 calc R U
H18C H 1.0401 0.0670 0.3111 0.051 Uiso 1 1 calc R U
C19 C 0.2986(9) 0.4146(6) 0.1102(5) 0.036(2) Uani 1 1 d . .
H19 H 0.2825 0.3995 0.0601 0.043 Uiso 1 1 calc R U
C20 C 0.1897(10) -0.1279(6) 0.1511(5) 0.031(2) Uani 1 1 d . .
H20 H 0.1233 -0.1787 0.1322 0.037 Uiso 1 1 calc R U
C21 C 0.6114(9) -0.1520(6) 0.3395(5) 0.035(2) Uani 1 1 d . .
C22 C 0.5482(9) 0.1274(6) 0.0873(5) 0.035(2) Uani 1 1 d . .
H22 H 0.5634 0.1343 0.0432 0.042 Uiso 1 1 calc R U
C24 C 0.0954(9) 0.5588(6) 0.0876(5) 0.033(2) Uani 1 1 d . .
H24 H 0.1287 0.5194 0.0450 0.039 Uiso 1 1 calc R U
C25 C 0.5073(9) -0.2424(6) 0.1734(6) 0.040(2) Uani 1 1 d . .
H25 H 0.4704 -0.2558 0.2120 0.048 Uiso 1 1 calc R U
C26 C 0.5041(8) 0.1089(5) 0.2195(4) 0.0214(16) Uani 1 1 d . .
C27 C 0.1247(9) 0.6903(6) 0.3726(5) 0.033(2) Uani 1 1 d . .
C28 C 0.6242(10) 0.1832(6) 0.1494(6) 0.038(2) Uani 1 1 d . .
H28 H 0.6923 0.2283 0.1473 0.045 Uiso 1 1 calc R U
C29 C 0.0061(9) 0.6754(6) 0.2147(5) 0.032(2) Uani 1 1 d . .
H29 H -0.0243 0.7159 0.2575 0.038 Uiso 1 1 calc R U
C30 C 0.9013(11) 0.0311(7) 0.1493(6) 0.040(2) Uani 1 1 d . .
H30 H 0.9572 0.0734 0.1370 0.048 Uiso 1 1 calc R U
C31 C 0.8217(9) -0.0113(6) 0.3757(6) 0.038(2) Uani 1 1 d . .
C33 C -0.0495(9) 0.6817(6) 0.1481(5) 0.031(2) Uani 1 1 d . .
H33 H -0.1193 0.7263 0.1468 0.038 Uiso 1 1 calc R U
C34 C 0.4320(9) 0.0517(5) 0.1545(5) 0.029(2) Uani 1 1 d . .
C35 C 0.8039(9) 0.4658(6) 0.2203(6) 0.038(2) Uani 1 1 d . .
C36 C 0.4484(9) 0.0604(7) 0.0898(6) 0.039(2) Uani 1 1 d . .
H36 H 0.3934 0.0218 0.0477 0.047 Uiso 1 1 calc R U
C37 C 0.9780(8) 0.3292(6) 0.1864(5) 0.030(2) Uani 1 1 d . .
C38 C 0.3929(9) 0.0464(6) 0.3901(5) 0.033(2) Uani 1 1 d . .
C39 C -0.0050(9) 0.6252(6) 0.0857(5) 0.034(2) Uani 1 1 d . .
H39 H -0.0420 0.6311 0.0417 0.041 Uiso 1 1 calc R U
C40 C 0.2556(9) -0.0843(6) 0.1134(5) 0.035(2) Uani 1 1 d . .
H40 H 0.2470 -0.0981 0.0634 0.042 Uiso 1 1 calc R U
C43 C 0.6131(9) -0.2057(6) 0.0572(5) 0.038(2) Uani 1 1 d . .
H43 H 0.6503 -0.1930 0.0184 0.045 Uiso 1 1 calc R U
C44 C 1.0733(9) 0.2578(6) 0.1696(6) 0.038(2) Uani 1 1 d . .
H44 H 1.1303 0.2435 0.2067 0.045 Uiso 1 1 calc R U
C45 C 0.8189(10) -0.0380(6) 0.1029(7) 0.047(3) Uani 1 1 d . .
H45 H 0.8048 -0.0538 0.0528 0.057 Uiso 1 1 calc R U
C48 C 0.6694(11) 0.5355(8) 0.1567(8) 0.056(3) Uani 1 1 d . .
H48 H 0.6062 0.5780 0.1464 0.068 Uiso 1 1 calc R U
C49 C 0.2837(8) 0.4831(5) 0.2230(5) 0.0258(19) Uani 1 1 d . .
C50 C 0.8656(9) 0.4922(6) 0.3761(5) 0.036(2) Uani 1 1 d . .
C51 C 0.5759(9) 0.1872(5) 0.3762(5) 0.032(2) Uani 1 1 d . .
C52 C 0.9110(10) 0.2964(6) 0.0590(6) 0.041(2) Uani 1 1 d . .
H52 H 0.8524 0.3103 0.0221 0.049 Uiso 1 1 calc R U
C54 C 1.0528(10) 0.3480(7) 0.3375(6) 0.043(3) Uani 1 1 d . .
C56 C 0.8015(9) -0.0383(5) 0.2153(5) 0.032(2) 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
C C 0.0033 0.0016
;
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)
;
K K 0.2009 0.2494
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
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_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Pt1 C38 96.8(4) . .
C1 Pt1 C51 172.0(4) . .
C38 Pt1 C51 90.5(4) . .
C1 Pt1 C26 79.4(3) . .
C38 Pt1 C26 176.1(3) . .
C51 Pt1 C26 93.3(4) . .
C27 Pt2 C49 170.7(4) . .
C27 Pt2 C17 88.8(4) . .
C49 Pt2 C17 99.7(3) . .
C27 Pt2 C14 93.2(3) . .
C49 Pt2 C14 78.4(3) . .
C17 Pt2 C14 178.0(3) . .
C21 Pt3 C56 172.9(4) . .
C21 Pt3 C31 86.8(4) . .
C56 Pt3 C31 100.1(4) . .
C21 Pt3 C16 94.0(4) . .
C56 Pt3 C16 79.0(4) . .
C31 Pt3 C16 176.9(3) . .
C35 Pt4 C50 98.1(4) . .
C35 Pt4 C54 173.9(4) . .
C50 Pt4 C54 87.8(4) . .
C35 Pt4 C37 80.5(4) . .
C50 Pt4 C37 177.1(3) . .
C54 Pt4 C37 93.5(4) . .
N12 K1 N10 169.8(3) . 2_766
N12 K1 N7 83.1(2) . 2_666
N10 K1 N7 97.9(2) 2_766 2_666
N12 K1 N11 98.9(3) . .
N10 K1 N11 84.2(2) 2_766 .
N7 K1 N11 156.9(3) 2_666 .
N12 K1 C17 89.7(2) . 2_666
N10 K1 C17 87.9(2) 2_766 2_666
N7 K1 C17 20.9(2) 2_666 2_666
N11 K1 C17 170.8(2) . 2_666
N12 K1 C54 94.9(3) . .
N10 K1 C54 91.3(3) 2_766 .
N7 K1 C54 137.1(3) 2_666 .
N11 K1 C54 20.0(2) . .
C17 K1 C54 156.4(3) 2_666 .
N12 K1 N9 80.8(2) . 2_666
N10 K1 N9 89.1(3) 2_766 2_666
N7 K1 N9 89.4(2) 2_666 2_666
N11 K1 N9 113.7(2) . 2_666
C17 K1 N9 70.8(2) 2_666 2_666
C54 K1 N9 132.8(2) . 2_666
N12 K1 O1 95.0(5) . 2_666
N10 K1 O1 79.9(5) 2_766 2_666
N7 K1 O1 155.4(4) 2_666 2_666
N11 K1 O1 47.7(4) . 2_666
C17 K1 O1 135.3(4) 2_666 2_666
C54 K1 O1 67.4(4) . 2_666
N9 K1 O1 66.2(4) 2_666 2_666
N12 K1 N10 106.4(2) . .
N10 K1 N10 83.5(3) 2_766 .
N7 K1 N10 72.1(2) 2_666 .
N11 K1 N10 85.4(2) . .
C17 K1 N10 89.0(2) 2_666 .
C54 K1 N10 67.5(2) . .
N9 K1 N10 158.7(2) 2_666 .
O1 K1 N10 131.3(4) 2_666 .
N12 K1 C27 89.1(2) . 2_666
N10 K1 C27 81.6(2) 2_766 2_666
N7 K1 C27 71.7(2) 2_666 2_666
N11 K1 C27 131.1(2) . 2_666
C17 K1 C27 51.8(2) 2_666 2_666
C54 K1 C27 151.1(2) . 2_666
N9 K1 C27 20.43(19) 2_666 2_666
O1 K1 C27 83.7(4) 2_666 2_666
N10 K1 C27 138.3(2) . 2_666
N12 K1 C50 98.8(2) . .
N10 K1 C50 91.4(3) 2_766 .
N7 K1 C50 89.0(2) 2_666 .
N11 K1 C50 67.9(2) . .
C17 K1 C50 107.6(2) 2_666 .
C54 K1 C50 48.8(2) . .
N9 K1 C50 178.4(2) 2_666 .
O1 K1 C50 115.4(4) 2_666 .
N10 K1 C50 19.98(19) . .
C27 K1 C50 158.2(2) 2_666 .
N12 K1 C50 157.0(3) . 2_766
N10 K1 C50 18.3(2) 2_766 2_766
N7 K1 C50 80.6(2) 2_666 2_766
N11 K1 C50 102.5(2) . 2_766
C17 K1 C50 69.6(2) 2_666 2_766
C54 K1 C50 108.1(2) . 2_766
N9 K1 C50 82.9(2) 2_666 2_766
O1 K1 C50 93.1(5) 2_666 2_766
N10 K1 C50 83.9(2) . 2_766
C27 K1 C50 70.4(2) 2_666 2_766
C50 K1 C50 97.1(2) . 2_766
N16 K2 N9 97.9(3) . 1_545
N16 K2 N15 166.5(3) . 2_656
N9 K2 N15 84.5(2) 1_545 2_656
N16 K2 N14 82.7(2) . 2_656
N9 K2 N14 166.6(3) 1_545 2_656
N15 K2 N14 98.0(2) 2_656 2_656
N16 K2 N14 83.5(2) . .
N9 K2 N14 117.4(2) 1_545 .
N15 K2 N14 83.7(2) 2_656 .
N14 K2 N14 76.0(2) 2_656 .
N16 K2 C38 98.2(2) . 2_656
N9 K2 C38 147.8(3) 1_545 2_656
N15 K2 C38 86.2(2) 2_656 2_656
N14 K2 C38 21.2(2) 2_656 2_656
N14 K2 C38 92.0(2) . 2_656
N16 K2 N12 109.9(2) . 2_656
N9 K2 N12 78.2(2) 1_545 2_656
N15 K2 N12 83.6(2) 2_656 2_656
N14 K2 N12 89.0(2) 2_656 2_656
N14 K2 N12 158.7(2) . 2_656
C38 K2 N12 70.1(2) 2_656 2_656
N16 K2 C51 114.9(2) . 2_656
N9 K2 C51 96.0(2) 1_545 2_656
N15 K2 C51 77.9(2) 2_656 2_656
N14 K2 C51 71.8(2) 2_656 2_656
N14 K2 C51 139.9(2) . 2_656
C38 K2 C51 51.8(2) 2_656 2_656
N12 K2 C51 19.32(18) 2_656 2_656
N16 K2 C31 160.7(2) . 2_656
N9 K2 C31 100.5(2) 1_545 2_656
N15 K2 C31 17.68(18) 2_656 2_656
N14 K2 C31 80.7(2) 2_656 2_656
N14 K2 C31 83.0(2) . 2_656
C38 K2 C31 68.6(2) 2_656 2_656
N12 K2 C31 79.7(2) 2_656 2_656
C51 K2 C31 68.9(2) 2_656 2_656
N16 K2 C27 81.1(2) . 1_545
N9 K2 C27 18.00(19) 1_545 1_545
N15 K2 C27 102.4(2) 2_656 1_545
N14 K2 C27 154.3(2) 2_656 1_545
N14 K2 C27 121.4(2) . 1_545
C38 K2 C27 145.9(2) 2_656 1_545
N12 K2 C27 78.1(2) 2_656 1_545
C51 K2 C27 97.3(2) 2_656 1_545
C31 K2 C27 117.9(2) 2_656 1_545
N16 K2 K4 132.3(2) . 1_545
N9 K2 K4 42.88(15) 1_545 1_545
N15 K2 K4 44.59(15) 2_656 1_545
N14 K2 K4 142.39(16) 2_656 1_545
N14 K2 K4 92.78(14) . 1_545
C38 K2 K4 129.47(16) 2_656 1_545
N12 K2 K4 90.03(14) 2_656 1_545
C51 K2 K4 98.26(15) 2_656 1_545
C31 K2 K4 62.16(15) 2_656 1_545
C27 K2 K4 60.64(14) 1_545 1_545
N16 K2 K4 45.05(19) . 1_645
N9 K2 K4 135.84(16) 1_545 1_645
N15 K2 K4 137.61(16) 2_656 1_645
N14 K2 K4 39.64(15) 2_656 1_645
N14 K2 K4 85.99(14) . 1_645
C38 K2 K4 53.17(15) 2_656 1_645
N12 K2 K4 92.03(14) 2_656 1_645
C51 K2 K4 84.29(14) 2_656 1_645
C31 K2 K4 120.12(16) 2_656 1_645
C27 K2 K4 117.95(14) 1_545 1_645
K4 K2 K4 177.18(9) 1_545 1_645
O2 K3 N7 85.9(6) . 2_666
O2 K3 N11 97.0(6) . 1_455
N7 K3 N11 172.6(3) 2_666 1_455
O2 K3 N7 149.4(4) . .
N7 K3 N7 86.2(2) 2_666 .
N11 K3 N7 87.9(3) 1_455 .
O2 K3 N10 70.8(5) . 2_666
N7 K3 N10 88.4(2) 2_666 2_666
N11 K3 N10 86.1(3) 1_455 2_666
N7 K3 N10 79.6(3) . 2_666
O2 K3 N12 80.8(5) . .
N7 K3 N12 82.6(2) 2_666 .
N11 K3 N12 104.6(3) 1_455 .
N7 K3 N12 127.2(3) . .
N10 K3 N12 150.7(3) 2_666 .
O2 K3 O1 47.5(6) . 2_566
N7 K3 O1 132.9(5) 2_666 2_566
N11 K3 O1 51.1(5) 1_455 2_566
N7 K3 O1 136.1(5) . 2_566
N10 K3 O1 82.3(6) 2_666 2_566
N12 K3 O1 83.7(5) . 2_566
O2 K3 C51 78.8(4) . .
N7 K3 C51 100.5(2) 2_666 .
N11 K3 C51 86.8(2) 1_455 .
N7 K3 C51 131.7(3) . .
N10 K3 C51 147.6(3) 2_666 .
N12 K3 C51 18.24(19) . .
O1 K3 C51 68.7(5) 2_566 .
O2 K3 K3 123.2(4) . 2_666
N7 K3 K3 43.60(18) 2_666 2_666
N11 K3 K3 130.3(2) 1_455 2_666
N7 K3 K3 42.58(16) . 2_666
N10 K3 K3 81.7(2) 2_666 2_666
N12 K3 K3 109.28(16) . 2_666
O1 K3 K3 163.7(5) 2_566 2_666
C51 K3 K3 125.71(15) . 2_666
O2 K3 K1 94.2(6) . .
N7 K3 K1 44.54(17) 2_666 .
N11 K3 K1 141.5(2) 1_455 .
N7 K3 K1 100.65(16) . .
N10 K3 K1 132.24(18) 2_666 .
N12 K3 K1 41.40(15) . .
O1 K3 K1 120.9(5) 2_566 .
C51 K3 K1 59.47(14) . .
K3 K3 K1 69.17(6) 2_666 .
O2 K3 K1 72.3(6) . 1_455
N7 K3 K1 130.05(19) 2_666 1_455
N11 K3 K1 45.5(2) 1_455 1_455
N7 K3 K1 90.68(16) . 1_455
N10 K3 K1 42.32(16) 2_666 1_455
N12 K3 K1 134.23(17) . 1_455
O1 K3 K1 50.9(5) 2_566 1_455
C51 K3 K1 117.65(15) . 1_455
K3 K3 K1 116.39(8) 2_666 1_455
K1 K3 K1 166.39(10) . 1_455
O2 K3 K1 114.4(4) . 2_666
N7 K3 K1 90.14(18) 2_666 2_666
N11 K3 K1 82.4(2) 1_455 2_666
N7 K3 K1 36.24(17) . 2_666
N10 K3 K1 43.6(2) 2_666 2_666
N12 K3 K1 162.77(18) . 2_666
O1 K3 K1 112.4(5) 2_566 2_666
C51 K3 K1 163.89(18) . 2_666
K3 K3 K1 56.24(6) 2_666 2_666
K1 K3 K1 125.41(6) . 2_666
K1 K3 K1 61.52(6) 1_455 2_666
O1 K4 N9 84.2(6) . .
O1 K4 N14 79.3(6) . 2_566
N9 K4 N14 163.4(3) . 2_566
O1 K4 N15 89.3(7) . 2_666
N9 K4 N15 87.4(2) . 2_666
N14 K4 N15 90.5(2) 2_566 2_666
O1 K4 N15 159.9(6) . 1_465
N9 K4 N15 112.3(3) . 1_465
N14 K4 N15 83.5(2) 2_566 1_465
N15 K4 N15 80.4(3) 2_666 1_465
O1 K4 O2 48.0(6) . 2_566
N9 K4 O2 83.1(4) . 2_566
N14 K4 O2 87.2(4) 2_566 2_566
N15 K4 O2 136.9(4) 2_666 2_566
N15 K4 O2 141.7(4) 1_465 2_566
O1 K4 N16 98.4(7) . 1_465
N9 K4 N16 103.7(2) . 1_465
N14 K4 N16 80.7(2) 2_566 1_465
N15 K4 N16 167.0(2) 2_666 1_465
N15 K4 N16 89.0(2) 1_465 1_465
O2 K4 N16 52.8(4) 2_566 1_465
O1 K4 C31 166.6(6) . 1_465
N9 K4 C31 105.9(3) . 1_465
N14 K4 C31 90.6(2) 2_566 1_465
N15 K4 C31 99.7(3) 2_666 1_465
N15 K4 C31 20.6(2) 1_465 1_465
O2 K4 C31 123.4(4) 2_566 1_465
N16 K4 C31 71.1(2) 1_465 1_465
O1 K4 C21 118.9(7) . 1_465
N9 K4 C21 101.1(3) . 1_465
N14 K4 C21 88.6(2) 2_566 1_465
N15 K4 C21 151.0(3) 2_666 1_465
N15 K4 C21 70.7(2) 1_465 1_465
O2 K4 C21 72.0(4) 2_566 1_465
N16 K4 C21 20.8(2) 1_465 1_465
C31 K4 C21 51.4(2) 1_465 1_465
O1 K4 C38 63.3(6) . 2_566
N9 K4 C38 147.2(3) . 2_566
N14 K4 C38 16.3(2) 2_566 2_566
N15 K4 C38 87.4(2) 2_666 2_566
N15 K4 C38 98.8(2) 1_465 2_566
O2 K4 C38 78.8(3) 2_566 2_566
N16 K4 C38 86.8(2) 1_465 2_566
C31 K4 C38 106.9(2) 1_465 2_566
C21 K4 C38 99.1(2) 1_465 2_566
O1 K4 K2 98.7(6) . 1_565
N9 K4 K2 45.01(16) . 1_565
N14 K4 K2 135.96(17) 2_566 1_565
N15 K4 K2 45.47(16) 2_666 1_565
N15 K4 K2 86.47(14) 1_465 1_565
O2 K4 K2 124.0(4) 2_566 1_565
N16 K4 K2 141.95(18) 1_465 1_565
C31 K4 K2 94.73(15) 1_465 1_565
C21 K4 K2 127.75(18) 1_465 1_565
C38 K4 K2 131.24(16) 2_566 1_565
O1 K4 K2 79.3(6) . 1_465
N9 K4 K2 136.15(17) . 1_465
N14 K4 K2 41.94(16) 2_566 1_465
N15 K4 K2 132.28(17) 2_666 1_465
N15 K4 K2 94.84(14) 1_465 1_465
O2 K4 K2 55.9(4) 2_566 1_465
N16 K4 K2 40.68(17) 1_465 1_465
C31 K4 K2 87.32(15) 1_465 1_465
C21 K4 K2 55.06(17) 1_465 1_465
C38 K4 K2 46.10(15) 2_566 1_465
K2 K4 K2 177.18(9) 1_565 1_465
K4 O1 K3 132.7(10) . 2_566
K4 O1 K1 105.9(9) . 2_666
K3 O1 K1 82.5(6) 2_566 2_666
K3 O2 K4 131.8(8) . 2_566
C56 N1 C30 110.0(9) . .
C56 N1 C18 122.0(8) . .
C30 N1 C18 128.0(8) . .
C35 N2 C48 113.1(10) . .
C35 N2 C9 123.4(10) . .
C48 N2 C9 123.4(10) . .
C1 N3 C40 113.7(8) . .
C1 N3 C34 117.1(7) . .
C40 N3 C34 129.2(8) . .
C49 N4 C6 108.9(8) . .
C49 N4 C4 126.0(8) . .
C6 N4 C4 125.1(7) . .
C49 N5 C19 109.1(8) . .
C49 N5 C7 118.7(7) . .
C19 N5 C7 132.1(8) . .
C1 N6 C20 111.9(7) . .
C1 N6 C2 125.1(7) . .
C20 N6 C2 123.0(7) . .
C17 N7 K3 127.8(8) . 2_666
C17 N7 K3 134.5(8) . .
K3 N7 K3 93.8(2) 2_666 .
C17 N7 K1 87.8(6) . 2_666
K3 N7 K1 93.9(3) 2_666 2_666
K3 N7 K1 109.0(3) . 2_666
C56 N8 C45 111.5(8) . .
C56 N8 C5 117.9(8) . .
C45 N8 C5 130.4(9) . .
C27 N9 K4 152.8(7) . .
C27 N9 K2 112.9(6) . 1_565
K4 N9 K2 92.1(2) . 1_565
C27 N9 K1 83.2(7) . 2_666
K4 N9 K1 103.1(3) . 2_666
K2 N9 K1 100.9(3) 1_565 2_666
C50 N10 K1 112.6(6) . 2_766
C50 N10 K3 151.8(7) . 2_666
K1 N10 K3 94.0(3) 2_766 2_666
C50 N10 K1 87.7(7) . .
K1 N10 K1 96.5(3) 2_766 .
K3 N10 K1 98.8(3) 2_666 .
C54 N11 K3 123.7(8) . 1_655
C54 N11 K1 90.8(7) . .
K3 N11 K1 92.4(3) 1_655 .
C51 N12 K1 158.0(7) . .
C51 N12 K3 106.4(6) . .
K1 N12 K3 93.7(3) . .
C51 N12 K2 82.5(7) . 2_656
K1 N12 K2 100.1(3) . 2_656
K3 N12 K2 107.7(3) . 2_656
C38 N14 K4 120.4(7) . 2_566
C38 N14 K2 91.1(6) . 2_656
K4 N14 K2 98.4(2) 2_566 2_656
C38 N14 K2 135.9(7) . .
K4 N14 K2 98.4(2) 2_566 .
K2 N14 K2 104.0(2) 2_656 .
C31 N15 K4 158.3(7) . 2_666
C31 N15 K2 110.6(6) . 2_656
K4 N15 K2 89.9(2) 2_666 2_656
C31 N15 K4 86.2(7) . 1_645
K4 N15 K4 99.6(3) 2_666 1_645
K2 N15 K4 94.5(3) 2_656 1_645
C21 N16 K2 126.3(8) . .
C21 N16 K4 85.5(6) . 1_645
K2 N16 K4 94.3(3) . 1_645
C35 N17 C3 111.5(8) . .
C35 N17 C13 117.9(8) . .
C3 N17 C13 130.4(9) . .
N6 C1 N3 102.1(7) . .
N6 C1 Pt1 141.4(7) . .
N3 C1 Pt1 116.5(6) . .
N6 C2 H2A 109.5 . .
N6 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
N6 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C48 C3 N17 104.9(10) . .
C48 C3 H3 127.6 . .
N17 C3 H3 127.6 . .
N4 C4 H4A 109.5 . .
N4 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
N4 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C43 C5 C16 124.8(8) . .
C43 C5 N8 123.0(9) . .
C16 C5 N8 112.1(8) . .
C19 C6 N4 107.2(8) . .
C19 C6 H6 126.4 . .
N4 C6 H6 126.4 . .
C24 C7 C14 123.6(8) . .
C24 C7 N5 123.4(8) . .
C14 C7 N5 113.0(7) . .
C15 C8 C52 117.0(10) . .
C15 C8 H8 121.5 . .
C52 C8 H8 121.5 . .
N2 C9 H9A 109.5 . .
N2 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N2 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C11 C10 C25 121.0(10) . .
C11 C10 H10 119.5 . .
C25 C10 H10 119.5 . .
C10 C11 C43 121.3(11) . .
C10 C11 H11 119.3 . .
C43 C11 H11 119.3 . .
C26 C12 C28 119.3(9) . .
C26 C12 H12 120.4 . .
C28 C12 H12 120.4 . .
C52 C13 C37 123.2(8) . .
C52 C13 N17 123.6(9) . .
C37 C13 N17 113.2(8) . .
C29 C14 C7 117.3(8) . .
C29 C14 Pt2 128.1(6) . .
C7 C14 Pt2 114.5(6) . .
C8 C15 C44 121.9(9) . .
C8 C15 H15 119.1 . .
C44 C15 H15 119.1 . .
C25 C16 C5 116.4(9) . .
C25 C16 Pt3 128.6(7) . .
C5 C16 Pt3 115.0(6) . .
N7 C17 Pt2 178.4(9) . .
N7 C17 K1 71.3(6) . 2_666
Pt2 C17 K1 107.9(3) . 2_666
N1 C18 H18A 109.5 . .
N1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C6 C19 N5 107.9(9) . .
C6 C19 H19 126.1 . .
N5 C19 H19 126.1 . .
C40 C20 N6 107.6(8) . .
C40 C20 H20 126.2 . .
N6 C20 H20 126.2 . .
N16 C21 Pt3 177.7(8) . .
N16 C21 K4 73.7(7) . 1_645
Pt3 C21 K4 104.9(3) . 1_645
C28 C22 C36 119.4(9) . .
C28 C22 H22 120.3 . .
C36 C22 H22 120.3 . .
C7 C24 C39 119.2(9) . .
C7 C24 H24 120.4 . .
C39 C24 H24 120.4 . .
C16 C25 C10 120.3(10) . .
C16 C25 H25 119.8 . .
C10 C25 H25 119.8 . .
C12 C26 C34 116.9(8) . .
C12 C26 Pt1 128.2(6) . .
C34 C26 Pt1 114.9(6) . .
N9 C27 Pt2 176.2(8) . .
N9 C27 K1 76.4(7) . 2_666
Pt2 C27 K1 101.8(3) . 2_666
N9 C27 K2 49.1(5) . 1_565
Pt2 C27 K2 127.9(3) . 1_565
K1 C27 K2 87.7(2) 2_666 1_565
C22 C28 C12 122.0(9) . .
C22 C28 H28 119.0 . .
C12 C28 H28 119.0 . .
C14 C29 C33 119.0(9) . .
C14 C29 H29 120.5 . .
C33 C29 H29 120.5 . .
C45 C30 N1 109.5(9) . .
C45 C30 H30 125.3 . .
N1 C30 H30 125.3 . .
N15 C31 Pt3 178.8(9) . .
N15 C31 K4 73.2(7) . 1_645
Pt3 C31 K4 105.5(4) . 1_645
N15 C31 K2 51.7(6) . 2_656
Pt3 C31 K2 128.5(3) . 2_656
K4 C31 K2 82.2(2) 1_645 2_656
C39 C33 C29 121.7(8) . .
C39 C33 H33 119.1 . .
C29 C33 H33 119.1 . .
C36 C34 C26 123.9(8) . .
C36 C34 N3 123.9(9) . .
C26 C34 N3 112.2(8) . .
N2 C35 N17 103.5(9) . .
N2 C35 Pt4 141.9(9) . .
N17 C35 Pt4 114.6(6) . .
C34 C36 C22 118.4(10) . .
C34 C36 H36 120.8 . .
C22 C36 H36 120.8 . .
C44 C37 C13 115.9(9) . .
C44 C37 Pt4 130.3(7) . .
C13 C37 Pt4 113.8(6) . .
N14 C38 Pt1 176.4(9) . .
N14 C38 K2 67.7(6) . 2_656
Pt1 C38 K2 109.2(3) . 2_656
N14 C38 K4 43.3(5) . 2_566
Pt1 C38 K4 135.4(4) . 2_566
K2 C38 K4 80.7(2) 2_656 2_566
C33 C39 C24 119.1(9) . .
C33 C39 H39 120.4 . .
C24 C39 H39 120.4 . .
C20 C40 N3 104.7(9) . .
C20 C40 H40 127.7 . .
N3 C40 H40 127.7 . .
C5 C43 C11 116.0(10) . .
C5 C43 H43 122.0 . .
C11 C43 H43 122.0 . .
C37 C44 C15 121.3(9) . .
C37 C44 H44 119.3 . .
C15 C44 H44 119.3 . .
C30 C45 N8 104.6(10) . .
C30 C45 H45 127.7 . .
N8 C45 H45 127.7 . .
C3 C48 N2 107.0(9) . .
C3 C48 H48 126.5 . .
N2 C48 H48 126.5 . .
N5 C49 N4 107.0(8) . .
N5 C49 Pt2 115.3(6) . .
N4 C49 Pt2 137.7(7) . .
N10 C50 Pt4 174.6(9) . .
N10 C50 K1 72.3(7) . .
Pt4 C50 K1 102.7(3) . .
N10 C50 K1 49.0(5) . 2_766
Pt4 C50 K1 129.5(3) . 2_766
K1 C50 K1 82.9(2) . 2_766
N12 C51 Pt1 177.8(9) . .
N12 C51 K2 78.2(7) . 2_656
Pt1 C51 K2 100.6(3) . 2_656
N12 C51 K3 55.4(6) . .
Pt1 C51 K3 123.2(3) . .
K2 C51 K3 96.3(2) 2_656 .
C13 C52 C8 120.6(10) . .
C13 C52 H52 119.7 . .
C8 C52 H52 119.7 . .
N11 C54 Pt4 178.5(10) . .
N11 C54 K1 69.1(7) . .
Pt4 C54 K1 110.8(4) . .
N1 C56 N8 104.4(8) . .
N1 C56 Pt3 139.7(7) . .
N8 C56 Pt3 115.9(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C1 1.983(8) .
Pt1 C38 2.018(9) .
Pt1 C51 2.041(8) .
Pt1 C26 2.062(8) .
Pt2 C27 2.009(9) .
Pt2 C49 2.041(8) .
Pt2 C17 2.044(10) .
Pt2 C14 2.067(8) .
Pt3 C21 2.005(10) .
Pt3 C56 2.014(10) .
Pt3 C31 2.020(11) .
Pt3 C16 2.076(8) .
Pt4 C35 1.997(10) .
Pt4 C50 1.996(10) .
Pt4 C54 2.015(11) .
Pt4 C37 2.052(9) .
K1 N12 2.801(8) .
K1 N10 2.857(8) 2_766
K1 N7 2.971(8) 2_666
K1 N11 3.022(10) .
K1 C17 3.134(9) 2_666
K1 C54 3.234(10) .
K1 N9 3.269(10) 2_666
K1 O1 3.31(3) 2_666
K1 N10 3.317(11) .
K1 C27 3.340(10) 2_666
K1 C50 3.479(11) .
K1 C50 3.492(9) 2_766
K2 N16 2.842(9) .
K2 N9 2.870(8) 1_545
K2 N15 2.891(8) 2_656
K2 N14 2.937(7) 2_656
K2 N14 2.954(8) .
K2 C38 3.174(9) 2_656
K2 N12 3.366(10) 2_656
K2 C51 3.410(10) 2_656
K2 C31 3.448(10) 2_656
K2 C27 3.499(9) 1_545
K2 K4 4.056(3) 1_545
K2 K4 4.347(3) 1_645
K3 O2 2.636(15) .
K3 N7 2.809(8) 2_666
K3 N11 2.839(9) 1_455
K3 N7 2.863(9) .
K3 N10 2.933(9) 2_666
K3 N12 2.991(9) .
K3 O1 3.11(3) 2_566
K3 C51 3.488(9) .
K3 K3 4.143(5) 2_666
K3 K1 4.234(3) 1_455
K3 K1 4.751(3) 2_666
K4 O1 2.59(2) .
K4 N9 2.762(7) .
K4 N14 2.803(7) 2_566
K4 N15 2.847(8) 2_666
K4 N15 3.044(9) 1_465
K4 O2 3.08(2) 2_566
K4 N16 3.085(10) 1_465
K4 C31 3.172(10) 1_465
K4 C21 3.204(10) 1_465
K4 C38 3.526(9) 2_566
K4 K2 4.056(3) 1_565
K4 K2 4.347(3) 1_465
O1 K3 3.11(3) 2_566
O1 K1 3.31(3) 2_666
O2 K4 3.08(2) 2_566
N1 C56 1.357(11) .
N1 C30 1.367(12) .
N1 C18 1.544(12) .
N2 C35 1.321(11) .
N2 C48 1.363(15) .
N2 C9 1.458(13) .
N3 C1 1.373(11) .
N3 C40 1.381(11) .
N3 C34 1.424(10) .
N4 C49 1.338(10) .
N4 C6 1.358(12) .
N4 C4 1.462(11) .
N5 C49 1.323(11) .
N5 C19 1.354(11) .
N5 C7 1.410(10) .
N6 C1 1.358(10) .
N6 C20 1.389(11) .
N6 C2 1.415(11) .
N7 C17 1.119(12) .
N7 K3 2.809(8) 2_666
N7 K1 2.971(8) 2_666
N8 C56 1.370(11) .
N8 C45 1.389(12) .
N8 C5 1.425(10) .
N9 C27 1.174(11) .
N9 K2 2.870(8) 1_565
N9 K1 3.269(10) 2_666
N10 C50 1.190(12) .
N10 K1 2.857(8) 2_766
N10 K3 2.933(9) 2_666
N11 C54 1.108(12) .
N11 K3 2.839(9) 1_655
N12 C51 1.138(11) .
N12 K2 3.366(10) 2_656
N14 C38 1.148(11) .
N14 K4 2.803(7) 2_566
N14 K2 2.937(7) 2_656
N15 C31 1.119(12) .
N15 K4 2.847(8) 2_666
N15 K2 2.891(8) 2_656
N15 K4 3.044(9) 1_645
N16 C21 1.140(12) .
N16 K4 3.085(9) 1_645
N17 C35 1.368(13) .
N17 C3 1.388(11) .
N17 C13 1.421(11) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 C48 1.357(16) .
C3 H3 0.9500 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C43 1.365(12) .
C5 C16 1.419(12) .
C6 C19 1.322(13) .
C6 H6 0.9500 .
C7 C24 1.362(12) .
C7 C14 1.399(11) .
C8 C15 1.397(15) .
C8 C52 1.401(13) .
C8 H8 0.9500 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.352(15) .
C10 C25 1.408(14) .
C10 H10 0.9500 .
C11 C43 1.411(13) .
C11 H11 0.9500 .
C12 C26 1.401(11) .
C12 C28 1.413(13) .
C12 H12 0.9500 .
C13 C52 1.379(13) .
C13 C37 1.406(13) .
C14 C29 1.395(11) .
C15 C44 1.402(14) .
C15 H15 0.9500 .
C16 C25 1.372(12) .
C17 K1 3.134(9) 2_666
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19 0.9500 .
C20 C40 1.353(12) .
C20 H20 0.9500 .
C21 K4 3.204(9) 1_645
C22 C28 1.380(14) .
C22 C36 1.400(12) .
C22 H22 0.9500 .
C24 C39 1.395(12) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 C34 1.414(12) .
C27 K1 3.340(10) 2_666
C27 K2 3.499(8) 1_565
C28 H28 0.9500 .
C29 C33 1.420(12) .
C29 H29 0.9500 .
C30 C45 1.347(14) .
C30 H30 0.9500 .
C31 K4 3.172(10) 1_645
C31 K2 3.448(10) 2_656
C33 C39 1.369(12) .
C33 H33 0.9500 .
C34 C36 1.374(13) .
C36 H36 0.9500 .
C37 C44 1.390(12) .
C38 K2 3.174(9) 2_656
C38 K4 3.526(8) 2_566
C39 H39 0.9500 .
C40 H40 0.9500 .
C43 H43 0.9500 .
C44 H44 0.9500 .
C45 H45 0.9500 .
C48 H48 0.9500 .
C50 K1 3.492(9) 2_766
C51 K2 3.410(10) 2_656
C52 H52 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_4
C20 N6 C1 N3 1.2(8) . .
C2 N6 C1 N3 179.1(8) . .
C20 N6 C1 Pt1 -178.6(7) . .
C2 N6 C1 Pt1 -0.7(14) . .
C40 N3 C1 N6 -2.0(9) . .
C34 N3 C1 N6 -179.5(6) . .
C40 N3 C1 Pt1 177.9(5) . .
C34 N3 C1 Pt1 0.3(9) . .
C35 N17 C3 C48 -1.8(10) . .
C13 N17 C3 C48 -177.1(8) . .
C56 N8 C5 C43 -176.6(7) . .
C45 N8 C5 C43 8.2(12) . .
C56 N8 C5 C16 2.2(9) . .
C45 N8 C5 C16 -173.0(7) . .
C49 N4 C6 C19 -0.4(9) . .
C4 N4 C6 C19 -178.1(8) . .
C49 N5 C7 C24 179.7(7) . .
C19 N5 C7 C24 -3.6(13) . .
C49 N5 C7 C14 -0.2(10) . .
C19 N5 C7 C14 176.5(8) . .
C25 C10 C11 C43 -1.6(13) . .
C35 N17 C13 C52 176.0(7) . .
C3 N17 C13 C52 -9.0(13) . .
C35 N17 C13 C37 -0.9(10) . .
C3 N17 C13 C37 174.1(8) . .
C24 C7 C14 C29 2.3(12) . .
N5 C7 C14 C29 -177.8(7) . .
C24 C7 C14 Pt2 -178.2(6) . .
N5 C7 C14 Pt2 1.7(8) . .
C52 C8 C15 C44 1.5(13) . .
C43 C5 C16 C25 -2.6(12) . .
N8 C5 C16 C25 178.6(7) . .
C43 C5 C16 Pt3 175.3(6) . .
N8 C5 C16 Pt3 -3.4(8) . .
K3 N7 C17 K1 -93.2(7) 2_666 2_666
K3 N7 C17 K1 114.8(9) . 2_666
N4 C6 C19 N5 1.3(10) . .
C49 N5 C19 C6 -1.9(9) . .
C7 N5 C19 C6 -178.8(8) . .
C1 N6 C20 C40 -0.1(9) . .
C2 N6 C20 C40 -178.1(8) . .
K2 N16 C21 K4 92.0(7) . 1_645
C14 C7 C24 C39 -2.6(12) . .
N5 C7 C24 C39 177.5(7) . .
C5 C16 C25 C10 1.1(11) . .
Pt3 C16 C25 C10 -176.5(6) . .
C11 C10 C25 C16 0.9(13) . .
C28 C12 C26 C34 1.4(11) . .
C28 C12 C26 Pt1 179.1(6) . .
K4 N9 C27 K1 -105.4(17) . 2_666
K2 N9 C27 K1 99.0(5) 1_565 2_666
K4 N9 C27 K2 156(2) . 1_565
K1 N9 C27 K2 -99.0(5) 2_666 1_565
C36 C22 C28 C12 -0.4(13) . .
C26 C12 C28 C22 0.2(12) . .
C7 C14 C29 C33 -0.4(11) . .
Pt2 C14 C29 C33 -179.7(6) . .
C56 N1 C30 C45 -0.7(10) . .
C18 N1 C30 C45 179.7(8) . .
K4 N15 C31 K4 106(2) 2_666 1_645
K2 N15 C31 K4 -93.3(4) 2_656 1_645
K4 N15 C31 K2 -160(2) 2_666 2_656
K4 N15 C31 K2 93.3(4) 1_645 2_656
C14 C29 C33 C39 -1.3(12) . .
C12 C26 C34 C36 -3.2(11) . .
Pt1 C26 C34 C36 178.8(6) . .
C12 C26 C34 N3 177.7(6) . .
Pt1 C26 C34 N3 -0.3(8) . .
C1 N3 C34 C36 -179.1(7) . .
C40 N3 C34 C36 3.7(13) . .
C1 N3 C34 C26 0.0(9) . .
C40 N3 C34 C26 -177.2(7) . .
C48 N2 C35 N17 -1.2(10) . .
C9 N2 C35 N17 -178.4(7) . .
C48 N2 C35 Pt4 176.5(8) . .
C9 N2 C35 Pt4 -0.7(15) . .
C3 N17 C35 N2 1.8(9) . .
C13 N17 C35 N2 177.8(7) . .
C3 N17 C35 Pt4 -176.6(5) . .
C13 N17 C35 Pt4 -0.6(9) . .
C26 C34 C36 C22 3.0(12) . .
N3 C34 C36 C22 -178.0(7) . .
C28 C22 C36 C34 -1.1(12) . .
C52 C13 C37 C44 4.6(12) . .
N17 C13 C37 C44 -178.5(7) . .
C52 C13 C37 Pt4 -175.0(6) . .
N17 C13 C37 Pt4 2.0(8) . .
K4 N14 C38 K2 100.4(6) 2_566 2_656
K2 N14 C38 K2 -111.6(8) . 2_656
K2 N14 C38 K4 -100.4(6) 2_656 2_566
K2 N14 C38 K4 148.0(12) . 2_566
C29 C33 C39 C24 1.1(12) . .
C7 C24 C39 C33 0.8(12) . .
N6 C20 C40 N3 -1.1(9) . .
C1 N3 C40 C20 2.0(9) . .
C34 N3 C40 C20 179.2(7) . .
C16 C5 C43 C11 1.9(12) . .
N8 C5 C43 C11 -179.5(7) . .
C10 C11 C43 C5 0.3(12) . .
C13 C37 C44 C15 -2.4(12) . .
Pt4 C37 C44 C15 177.1(6) . .
C8 C15 C44 C37 -0.6(13) . .
N1 C30 C45 N8 -0.2(10) . .
C56 N8 C45 C30 1.1(9) . .
C5 N8 C45 C30 176.5(7) . .
N17 C3 C48 N2 1.0(10) . .
C35 N2 C48 C3 0.1(11) . .
C9 N2 C48 C3 177.3(8) . .
C19 N5 C49 N4 1.6(9) . .
C7 N5 C49 N4 179.0(6) . .
C19 N5 C49 Pt2 -178.8(5) . .
C7 N5 C49 Pt2 -1.4(9) . .
C6 N4 C49 N5 -0.8(9) . .
C4 N4 C49 N5 177.0(7) . .
C6 N4 C49 Pt2 179.8(7) . .
C4 N4 C49 Pt2 -2.5(13) . .
K1 N10 C50 K1 96.1(5) 2_766 .
K3 N10 C50 K1 -104.5(17) 2_666 .
K3 N10 C50 K1 159(2) 2_666 2_766
K1 N10 C50 K1 -96.1(5) . 2_766
K1 N12 C51 K2 98(2) . 2_656
K3 N12 C51 K2 -106.3(4) . 2_656
K1 N12 C51 K3 -155(3) . .
K2 N12 C51 K3 106.3(4) 2_656 .
C37 C13 C52 C8 -3.8(13) . .
N17 C13 C52 C8 179.6(8) . .
C15 C8 C52 C13 0.6(13) . .
K3 N11 C54 K1 -93.5(7) 1_655 .
C30 N1 C56 N8 1.3(9) . .
C18 N1 C56 N8 -179.1(7) . .
C30 N1 C56 Pt3 -175.5(7) . .
C18 N1 C56 Pt3 4.1(13) . .
C45 N8 C56 N1 -1.5(8) . .
C5 N8 C56 N1 -177.5(6) . .
C45 N8 C56 Pt3 176.2(5) . .
C5 N8 C56 Pt3 0.2(8) . .
