#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/59/1515951.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_1515951
loop_
_publ_author_name
'Kobayashi, Masayuki'
'Masaoka, Shigeyuki'
'Sakai, Ken'
_publ_section_title
;
 Synthesis, crystal structure, solution and spectroscopic properties, and
 hydrogen-evolving activity of
 [K(18-crown-6)][Pt(ii)(2-phenylpyridinato)Cl2]
;
_journal_issue                   2
_journal_name_full
'Photochemical & Photobiological Sciences'
_journal_page_first              196
_journal_paper_doi               10.1039/b814939a
_journal_volume                  8
_journal_year                    2009
_chemical_formula_moiety
'C23 H34 Cl2 K N O7 Pt, C23 H32 Cl2 K N O6 Pt'
_chemical_formula_sum            'C46 H66 Cl4 K2 N2 O13 Pt2'
_chemical_formula_weight         1465.19
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_cell_angle_alpha                110.600(2)
_cell_angle_beta                 103.178(2)
_cell_angle_gamma                92.221(2)
_cell_formula_units_Z            2
_cell_length_a                   10.6085(18)
_cell_length_b                   14.149(2)
_cell_length_c                   19.981(4)
_cell_measurement_reflns_used    9962
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.04
_cell_measurement_theta_min      2.21
_cell_volume                     2710.1(8)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    'KENX (Sakai, 2002)'
_computing_publication_material
;
SHELXL97, TEXSAN (Molecular Structure Corporation, 2001),
KENX, and ORTEP (Johnson, 1976)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device
'Bruker SMART APEX CCD-detector diffractometer'
_diffrn_measurement_method       ω
_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  0.0556
_diffrn_reflns_av_sigmaI/netI    0.0652
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26240
_diffrn_reflns_theta_full        25.37
_diffrn_reflns_theta_max         25.37
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    5.568
_exptl_absorpt_correction_T_max  0.716
_exptl_absorpt_correction_T_min  0.545
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, G. M., 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1444
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         6.780
_refine_diff_density_min         -4.533
_refine_ls_extinction_expression not_refined
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         9847
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0652
_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)+(0.0533P)²+61.7929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1580
_refine_ls_wR_factor_ref         0.1632
_reflns_number_gt                8188
_reflns_number_total             9847
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b814939a.txt
_cod_data_source_block           071221ptppycl2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_database_code               1515951
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.87754(4) 0.59170(3) 0.23887(3) 0.01941(14) Uani 1 1 d .
Pt2 Pt 0.39121(4) -0.02632(3) 0.24643(3) 0.01852(14) Uani 1 1 d .
K1 K 0.5578(3) 0.3898(2) 0.25523(17) 0.0278(6) Uani 1 1 d .
K2 K 0.0610(3) 0.1476(2) 0.25845(16) 0.0258(6) Uani 1 1 d .
Cl1 Cl 0.7018(3) 0.4739(2) 0.14929(19) 0.0309(7) Uani 1 1 d .
Cl2 Cl 0.8072(3) 0.5585(2) 0.33340(19) 0.0289(7) Uani 1 1 d .
Cl3 Cl 0.2404(3) 0.0239(2) 0.16202(18) 0.0287(7) Uani 1 1 d .
Cl4 Cl 0.3405(3) 0.1030(2) 0.34736(18) 0.0290(7) Uani 1 1 d .
O1 O 0.4359(9) 0.5625(7) 0.2907(6) 0.036(2) Uani 1 1 d .
O2 O 0.3316(9) 0.4131(7) 0.1490(6) 0.034(2) Uani 1 1 d .
O3A O 0.436(3) 0.2254(15) 0.1253(12) 0.040(7) Uani 0.65(4) 1 d P
O3B O 0.488(5) 0.245(4) 0.110(2) 0.051(12) Uani 0.35(4) 1 d P
O4A O 0.6690(17) 0.2023(10) 0.2046(9) 0.030(6) Uani 0.65(4) 1 d P
O4B O 0.607(3) 0.181(2) 0.2265(18) 0.036(11) Uani 0.35(4) 1 d P
O5 O 0.6856(10) 0.3215(8) 0.3662(6) 0.044(3) Uani 1 1 d .
O6 O 0.5337(10) 0.4906(7) 0.4040(6) 0.039(2) Uani 1 1 d .
O7 O 0.0264(9) 0.3481(6) 0.2596(5) 0.027(2) Uani 1 1 d .
O8 O 0.0895(9) 0.3207(8) 0.3967(5) 0.034(2) Uani 1 1 d .
O9 O -0.0089(9) 0.1275(7) 0.3902(5) 0.034(2) Uani 1 1 d .
O10 O -0.0661(9) -0.0378(7) 0.2571(6) 0.037(2) Uani 1 1 d .
O11 O -0.1377(10) -0.0035(7) 0.1213(7) 0.045(3) Uani 1 1 d .
O12 O -0.0311(9) 0.1858(7) 0.1242(5) 0.035(2) Uani 1 1 d .
O13 O 0.3414(10) 0.2683(9) 0.2682(6) 0.046(3) Uani 1 1 d .
N1A N 0.9506(10) 0.6273(8) 0.1661(7) 0.023(2) Uani 0.50 1 d P
N1B N 1.0280(11) 0.6939(9) 0.3079(6) 0.025(2) Uani 0.50 1 d P
N2A N 0.4363(11) -0.1426(8) 0.1671(6) 0.023(2) Uani 0.50 1 d P
N2B N 0.5165(11) -0.0807(9) 0.3105(7) 0.025(3) Uani 0.50 1 d P
C1 C 0.9057(13) 0.5870(10) 0.0912(8) 0.032(3) Uani 1 1 d .
H1 H 0.8305 0.5373 0.0693 0.039 Uiso 1 1 calc R
C2 C 0.9671(14) 0.6168(11) 0.0452(8) 0.032(3) Uani 1 1 d .
H2 H 0.9343 0.5868 -0.0070 0.039 Uiso 1 1 calc R
C3 C 1.0754(13) 0.6898(11) 0.0763(8) 0.031(3) Uani 1 1 d .
H3 H 1.1182 0.7105 0.0458 0.037 Uiso 1 1 calc R
C4 C 1.1201(13) 0.7320(10) 0.1519(8) 0.030(3) Uani 1 1 d .
H4 H 1.1947 0.7823 0.1738 0.036 Uiso 1 1 calc R
C5 C 1.0589(12) 0.7027(9) 0.1967(7) 0.024(3) Uani 1 1 d .
C6 C 1.1016(12) 0.7411(8) 0.2770(7) 0.021(3) Uani 1 1 d .
C7 C 1.2039(13) 0.8162(9) 0.3193(8) 0.029(3) Uani 1 1 d .
H7 H 1.2508 0.8487 0.2964 0.035 Uiso 1 1 calc R
C8 C 1.2390(13) 0.8447(10) 0.3958(8) 0.031(3) Uani 1 1 d .
H8 H 1.3115 0.8951 0.4253 0.037 Uiso 1 1 calc R
C9 C 1.1678(14) 0.7992(10) 0.4283(8) 0.032(3) Uani 1 1 d .
H9 H 1.1887 0.8198 0.4806 0.039 Uiso 1 1 calc R
C10 C 1.0652(14) 0.7229(9) 0.3844(7) 0.029(3) Uani 1 1 d .
H10 H 1.0192 0.6896 0.4073 0.035 Uiso 1 1 calc R
C11A C 1.0280(11) 0.6939(9) 0.3079(6) 0.025(2) Uani 0.50 1 d P
C11B C 0.9506(10) 0.6273(8) 0.1661(7) 0.023(2) Uani 0.50 1 d P
C12 C 0.3336(15) 0.5782(11) 0.2387(10) 0.044(4) Uani 1 1 d .
H12A H 0.3373 0.6515 0.2467 0.053 Uiso 1 1 calc R
H12B H 0.2483 0.5549 0.2438 0.053 Uiso 1 1 calc R
C13 C 0.3498(15) 0.5167(11) 0.1613(10) 0.043(4) Uani 1 1 d .
H13A H 0.2849 0.5315 0.1233 0.052 Uiso 1 1 calc R
H13B H 0.4382 0.5360 0.1579 0.052 Uiso 1 1 calc R
C14 C 0.3539(15) 0.3527(12) 0.0793(8) 0.039(3) Uani 1 1 d .
H14A H 0.4421 0.3753 0.0773 0.047 Uiso 1 1 calc R
H14B H 0.2891 0.3624 0.0387 0.047 Uiso 1 1 calc R
C15 C 0.3432(16) 0.2434(11) 0.0689(9) 0.042(4) Uani 1 1 d .
C16 C 0.4930(15) 0.1350(11) 0.1005(8) 0.036(3) Uani 1 1 d .
C17 C 0.584(2) 0.1199(15) 0.1620(11) 0.072(6) Uani 1 1 d .
C18 C 0.745(2) 0.1878(15) 0.2714(9) 0.069(7) Uani 1 1 d .
C19 C 0.6896(15) 0.2125(12) 0.3373(11) 0.055(5) Uani 1 1 d .
H19A H 0.6006 0.1755 0.3225 0.066 Uiso 1 1 calc R
H19B H 0.7449 0.1919 0.3756 0.066 Uiso 1 1 calc R
C20 C 0.6380(16) 0.3570(13) 0.4310(9) 0.045(4) Uani 1 1 d .
H20A H 0.6949 0.3413 0.4714 0.054 Uiso 1 1 calc R
H20B H 0.5485 0.3229 0.4204 0.054 Uiso 1 1 calc R
C21 C 0.6375(16) 0.4692(12) 0.4536(9) 0.043(4) Uani 1 1 d .
H21A H 0.6265 0.4981 0.5045 0.052 Uiso 1 1 calc R
H21B H 0.7219 0.5012 0.4533 0.052 Uiso 1 1 calc R
C22 C 0.5407(15) 0.5973(10) 0.4174(9) 0.041(4) Uani 1 1 d .
H22A H 0.6232 0.6216 0.4098 0.049 Uiso 1 1 calc R
H22B H 0.5384 0.6360 0.4691 0.049 Uiso 1 1 calc R
C23 C 0.4255(15) 0.6129(10) 0.3642(10) 0.044(4) Uani 1 1 d .
H23A H 0.3434 0.5851 0.3701 0.053 Uiso 1 1 calc R
H23B H 0.4239 0.6866 0.3748 0.053 Uiso 1 1 calc R
C24 C 0.3898(13) -0.1686(10) 0.0916(7) 0.029(3) Uani 1 1 d .
H24 H 0.3387 -0.1247 0.0736 0.035 Uiso 1 1 calc R
C25 C 0.4163(15) -0.2573(10) 0.0414(8) 0.037(3) Uani 1 1 d .
H25 H 0.3797 -0.2757 -0.0102 0.044 Uiso 1 1 calc R
C26 C 0.4970(14) -0.3189(11) 0.0674(8) 0.035(3) Uani 1 1 d .
H26 H 0.5166 -0.3795 0.0337 0.042 Uiso 1 1 calc R
C27 C 0.5488(13) -0.2911(10) 0.1432(8) 0.031(3) Uani 1 1 d .
H27 H 0.6063 -0.3313 0.1615 0.037 Uiso 1 1 calc R
C28 C 0.5159(11) -0.2036(9) 0.1922(7) 0.022(3) Uani 1 1 d .
C29 C 0.5617(12) -0.1710(8) 0.2702(7) 0.023(3) Uani 1 1 d .
C30 C 0.6391(13) -0.2217(11) 0.3100(8) 0.033(3) Uani 1 1 d .
H30 H 0.6642 -0.2853 0.2839 0.040 Uiso 1 1 calc R
C31 C 0.6787(13) -0.1817(10) 0.3846(8) 0.032(3) Uani 1 1 d .
H31 H 0.7340 -0.2159 0.4104 0.039 Uiso 1 1 calc R
C32 C 0.6388(15) -0.0908(12) 0.4240(9) 0.042(4) Uani 1 1 d .
H32 H 0.6672 -0.0633 0.4766 0.051 Uiso 1 1 calc R
C33 C 0.5579(13) -0.0399(10) 0.3872(7) 0.029(3) Uani 1 1 d .
H33 H 0.5312 0.0224 0.4143 0.035 Uiso 1 1 calc R
C34A C 0.5165(11) -0.0807(9) 0.3105(7) 0.025(3) Uani 0.50 1 d P
C34B C 0.4363(11) -0.1426(8) 0.1671(6) 0.023(2) Uani 0.50 1 d P
C35 C 0.0960(13) 0.4229(10) 0.3258(8) 0.032(3) Uani 1 1 d .
H35A H 0.0825 0.4908 0.3238 0.038 Uiso 1 1 calc R
H35B H 0.1904 0.4169 0.3326 0.038 Uiso 1 1 calc R
C36 C 0.0543(15) 0.4144(11) 0.3907(8) 0.037(3) Uani 1 1 d .
H36A H 0.0987 0.4724 0.4366 0.044 Uiso 1 1 calc R
H36B H -0.0412 0.4148 0.3829 0.044 Uiso 1 1 calc R
C37 C 0.0515(14) 0.3060(12) 0.4564(7) 0.037(3) Uani 1 1 d .
H37A H -0.0428 0.3109 0.4511 0.045 Uiso 1 1 calc R
H37B H 0.1009 0.3589 0.5039 0.045 Uiso 1 1 calc R
C38 C 0.0804(14) 0.2011(13) 0.4548(8) 0.040(4) Uani 1 1 d .
H38A H 0.1716 0.1925 0.4525 0.049 Uiso 1 1 calc R
H38B H 0.0682 0.1922 0.5000 0.049 Uiso 1 1 calc R
C39 C 0.0076(17) 0.0287(12) 0.3875(10) 0.047(4) Uani 1 1 d .
H39A H -0.0035 0.0215 0.4334 0.057 Uiso 1 1 calc R
H39B H 0.0964 0.0141 0.3828 0.057 Uiso 1 1 calc R
C40 C -0.0935(15) -0.0444(11) 0.3214(10) 0.044(4) Uani 1 1 d .
H40A H -0.0900 -0.1148 0.3204 0.053 Uiso 1 1 calc R
H40B H -0.1819 -0.0264 0.3241 0.053 Uiso 1 1 calc R
C41 C -0.1531(15) -0.1073(11) 0.1904(10) 0.049(5) Uani 1 1 d .
H41A H -0.2435 -0.0909 0.1879 0.059 Uiso 1 1 calc R
H41B H -0.1511 -0.1778 0.1892 0.059 Uiso 1 1 calc R
C42 C -0.1098(16) -0.0982(10) 0.1257(10) 0.046(4) Uani 1 1 d .
H42A H -0.0150 -0.1023 0.1328 0.055 Uiso 1 1 calc R
H42B H -0.1569 -0.1544 0.0793 0.055 Uiso 1 1 calc R
C43 C -0.1023(17) 0.0092(11) 0.0609(9) 0.047(4) Uani 1 1 d .
H43A H -0.1561 -0.0426 0.0140 0.056 Uiso 1 1 calc R
H43B H -0.0095 -0.0003 0.0639 0.056 Uiso 1 1 calc R
C44 C -0.1228(15) 0.1132(11) 0.0618(8) 0.041(4) Uani 1 1 d .
H44A H -0.1106 0.1192 0.0157 0.049 Uiso 1 1 calc R
H44B H -0.2128 0.1259 0.0648 0.049 Uiso 1 1 calc R
C45 C -0.0480(16) 0.2888(11) 0.1303(8) 0.040(4) Uani 1 1 d .
H45A H -0.1381 0.3015 0.1332 0.048 Uiso 1 1 calc R
H45B H -0.0332 0.2998 0.0863 0.048 Uiso 1 1 calc R
C46 C 0.0480(14) 0.3597(10) 0.1987(8) 0.032(3) Uani 1 1 d .
H46A H 0.1377 0.3460 0.1956 0.038 Uiso 1 1 calc R
H46B H 0.0405 0.4309 0.2025 0.038 Uiso 1 1 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 0.0033 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'
K K 0.2009 0.2494 '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
_geom_angle_site_symmetry_3
N1B Pt1 N1A 80.3(5) .
N1B Pt1 Cl2 94.6(3) .
N1A Pt1 Cl2 174.9(3) .
N1B Pt1 Cl1 175.5(3) .
N1A Pt1 Cl1 95.3(3) .
Cl2 Pt1 Cl1 89.79(12) .
N2B Pt2 N2A 81.0(5) .
N2B Pt2 Cl3 175.0(4) .
N2A Pt2 Cl3 94.2(3) .
N2B Pt2 Cl4 94.6(4) .
N2A Pt2 Cl4 174.9(3) .
Cl3 Pt2 Cl4 90.02(11) .
O1 K1 O3A 117.8(4) .
O1 K1 O3B 120.0(10) .
O3A K1 O3B 16.0(7) .
O1 K1 O5 120.6(3) .
O3A K1 O5 110.8(5) .
O3B K1 O5 116.3(10) .
O1 K1 O6 59.6(3) .
O3A K1 O6 140.2(7) .
O3B K1 O6 156.2(11) .
O5 K1 O6 61.4(3) .
O1 K1 O4A 174.7(4) .
O3A K1 O4A 57.0(5) .
O3B K1 O4A 54.7(10) .
O5 K1 O4A 64.2(4) .
O6 K1 O4A 124.8(4) .
O1 K1 O4B 160.5(8) .
O3A K1 O4B 55.8(7) .
O3B K1 O4B 59.8(12) .
O5 K1 O4B 56.6(7) .
O6 K1 O4B 111.9(7) .
O4A K1 O4B 19.1(6) .
O1 K1 O13 91.9(3) .
O3A K1 O13 65.7(7) .
O3B K1 O13 81.7(11) .
O5 K1 O13 78.5(3) .
O6 K1 O13 74.6(3) .
O4A K1 O13 86.8(4) .
O4B K1 O13 68.6(8) .
O1 K1 O2 59.1(3) .
O3A K1 O2 59.5(4) .
O3B K1 O2 61.4(10) .
O5 K1 O2 155.2(3) .
O6 K1 O2 109.8(3) .
O4A K1 O2 115.6(4) .
O4B K1 O2 114.3(7) .
O13 K1 O2 76.7(3) .
O1 K1 Cl2 80.3(2) .
O3A K1 Cl2 143.8(7) .
O3B K1 Cl2 128.0(11) .
O5 K1 Cl2 79.9(2) .
O6 K1 Cl2 75.7(2) .
O4A K1 Cl2 103.4(3) .
O4B K1 Cl2 115.9(7) .
O13 K1 Cl2 149.1(2) .
O2 K1 Cl2 122.0(2) .
O1 K1 Cl1 90.0(2) .
O3A K1 Cl1 86.5(7) .
O3B K1 Cl1 70.9(11) .
O5 K1 Cl1 125.8(2) .
O6 K1 Cl1 131.2(2) .
O4A K1 Cl1 88.5(4) .
O4B K1 Cl1 107.0(7) .
O13 K1 Cl1 149.4(2) .
O2 K1 Cl1 78.2(2) .
Cl2 K1 Cl1 61.17(10) .
O1 K1 C13 42.3(4) .
O3A K1 C13 80.2(5) .
O3B K1 C13 78.4(10) .
O5 K1 C13 161.6(4) .
O6 K1 C13 100.6(4) .
O4A K1 C13 132.6(4) .
O4B K1 C13 135.9(7) .
O13 K1 C13 93.6(3) .
O2 K1 C13 22.7(3) .
Cl2 K1 C13 100.1(3) .
Cl1 K1 C13 68.0(3) .
O7 K2 O12 57.8(3) .
O7 K2 O10 144.9(3) .
O12 K2 O10 114.1(3) .
O7 K2 O8 58.7(3) .
O12 K2 O8 116.1(3) .
O10 K2 O8 113.2(3) .
O7 K2 O9 109.0(3) .
O12 K2 O9 145.6(3) .
O10 K2 O9 56.2(3) .
O8 K2 O9 57.3(3) .
O7 K2 O11 107.3(3) .
O12 K2 O11 57.0(3) .
O10 K2 O11 57.3(3) .
O8 K2 O11 144.1(3) .
O9 K2 O11 106.6(3) .
O7 K2 Cl3 117.5(2) .
O12 K2 Cl3 79.2(2) .
O10 K2 Cl3 91.3(2) .
O8 K2 Cl3 138.5(2) .
O9 K2 Cl3 129.9(2) .
O11 K2 Cl3 77.2(2) .
O7 K2 Cl4 120.5(2) .
O12 K2 Cl4 135.8(2) .
O10 K2 Cl4 89.6(2) .
O8 K2 Cl4 83.6(2) .
O9 K2 Cl4 78.58(19) .
O11 K2 Cl4 127.4(2) .
Cl3 K2 Cl4 62.73(9) .
O7 K2 O13 69.9(3) .
O12 K2 O13 84.4(3) .
O10 K2 O13 145.1(3) .
O8 K2 O13 80.4(3) .
O9 K2 O13 123.2(3) .
O11 K2 O13 128.6(3) .
Cl3 K2 O13 62.1(2) .
Cl4 K2 O13 59.1(2) .
O7 K2 C18 72.5(4) 1_455
O12 K2 C18 81.5(4) 1_455
O10 K2 C18 72.6(4) 1_455
O8 K2 C18 74.4(4) 1_455
O9 K2 C18 64.1(4) 1_455
O11 K2 C18 69.8(4) 1_455
Cl3 K2 C18 146.9(3) 1_455
Cl4 K2 C18 142.6(3) 1_455
O13 K2 C18 141.8(4) 1_455
Pt1 Cl1 K1 101.78(12) .
Pt1 Cl2 K1 107.24(13) .
Pt2 Cl3 K2 103.35(12) .
Pt2 Cl4 K2 99.01(12) .
C12 O1 C23 111.6(11) .
C12 O1 K1 121.6(8) .
C23 O1 K1 120.4(8) .
C13 O2 C14 110.9(11) .
C13 O2 K1 103.1(8) .
C14 O2 K1 102.4(8) .
O3B O3A C16 81(4) .
O3B O3A C15 85(4) .
C16 O3A C15 114.6(15) .
O3B O3A K1 83(4) .
C16 O3A K1 122.2(12) .
C15 O3A K1 119.0(11) .
O3A O3B K1 80(4) .
O4B O4A C17 63(2) .
O4B O4A C18 73(2) .
C17 O4A C18 110.2(16) .
O4B O4A K1 81(2) .
C17 O4A K1 115.6(13) .
C18 O4A K1 107.0(10) .
O4A O4B K1 80(2) .
C20 O5 C19 114.2(13) .
C20 O5 K1 112.8(8) .
C19 O5 K1 111.7(9) .
C21 O6 C22 111.7(11) .
C21 O6 K1 108.5(8) .
C22 O6 K1 106.8(8) .
C46 O7 C35 114.2(10) .
C46 O7 K2 111.9(7) .
C35 O7 K2 111.7(7) .
C37 O8 C36 110.9(11) .
C37 O8 K2 119.7(8) .
C36 O8 K2 116.8(7) .
C39 O9 C38 110.3(12) .
C39 O9 K2 107.6(8) .
C38 O9 K2 107.0(8) .
C40 O10 C41 112.8(12) .
C40 O10 K2 121.7(8) .
C41 O10 K2 120.0(9) .
C43 O11 C42 111.2(12) .
C43 O11 K2 104.7(8) .
C42 O11 K2 102.2(8) .
C44 O12 C45 112.0(11) .
C44 O12 K2 121.1(8) .
C45 O12 K2 118.2(8) .
K1 O13 K2 168.5(4) .
C1 N1A C5 117.7(11) .
C1 N1A Pt1 126.9(9) .
C5 N1A Pt1 115.3(9) .
C6 N1B Pt1 116.9(9) .
C28 N2A C24 118.6(11) .
C28 N2A Pt2 114.9(9) .
C24 N2A Pt2 126.4(9) .
C29 N2B Pt2 113.5(9) .
N1A C1 C2 121.9(13) .
N1A C1 H1 119.1 .
C2 C1 H1 119.1 .
C3 C2 C1 119.7(13) .
C3 C2 H2 120.2 .
C1 C2 H2 120.2 .
C4 C3 C2 118.8(12) .
C4 C3 H3 120.6 .
C2 C3 H3 120.6 .
C3 C4 C5 121.2(13) .
C3 C4 H4 119.4 .
C5 C4 H4 119.4 .
C4 C5 N1A 120.7(12) .
C4 C5 C6 124.9(12) .
N1A C5 C6 114.3(11) .
C7 C6 N1B 122.2(12) .
C7 C6 C5 124.8(12) .
N1B C6 C5 113.0(11) .
C6 C7 C8 119.9(12) .
C6 C7 H7 120.1 .
C8 C7 H7 120.1 .
C9 C8 C7 119.3(12) .
C9 C8 H8 120.3 .
C7 C8 H8 120.3 .
C8 C9 C10 119.8(13) .
C8 C9 H9 120.1 .
C10 C9 H9 120.1 .
C9 C10 H10 119.2 .
O1 C12 C13 107.5(12) .
O1 C12 H12A 110.2 .
C13 C12 H12A 110.2 .
O1 C12 H12B 110.2 .
C13 C12 H12B 110.2 .
H12A C12 H12B 108.5 .
O2 C13 C12 108.8(13) .
O2 C13 K1 54.2(7) .
C12 C13 K1 83.9(8) .
O2 C13 H13A 109.9 .
C12 C13 H13A 109.9 .
K1 C13 H13A 162.7 .
O2 C13 H13B 109.9 .
C12 C13 H13B 109.9 .
K1 C13 H13B 75.0 .
H13A C13 H13B 108.3 .
O2 C14 C15 110.6(12) .
O2 C14 K1 54.2(6) .
C15 C14 K1 84.6(8) .
O2 C14 H14A 109.5 .
C15 C14 H14A 109.5 .
K1 C14 H14A 75.3 .
O2 C14 H14B 109.5 .
C15 C14 H14B 109.5 .
K1 C14 H14B 162.5 .
H14A C14 H14B 108.1 .
O3A C15 C14 111.6(14) .
O3A C16 C17 111.4(14) .
O4A C17 C16 112.7(17) .
O4A C18 C19 118.3(15) .
O4A C18 K2 110.6(13) 1_655
C19 C18 K2 129.7(10) 1_655
O5 C19 C18 107.9(15) .
O5 C19 H19A 110.1 .
C18 C19 H19A 110.1 .
O5 C19 H19B 110.1 .
C18 C19 H19B 110.1 .
H19A C19 H19B 108.4 .
O5 C20 C21 108.2(12) .
O5 C20 H20A 110.1 .
C21 C20 H20A 110.1 .
O5 C20 H20B 110.1 .
C21 C20 H20B 110.1 .
H20A C20 H20B 108.4 .
O6 C21 C20 110.0(13) .
O6 C21 H21A 109.7 .
C20 C21 H21A 109.7 .
O6 C21 H21B 109.7 .
C20 C21 H21B 109.7 .
H21A C21 H21B 108.2 .
O6 C22 C23 108.0(12) .
O6 C22 H22A 110.1 .
C23 C22 H22A 110.1 .
O6 C22 H22B 110.1 .
C23 C22 H22B 110.1 .
H22A C22 H22B 108.4 .
O1 C23 C22 109.1(11) .
O1 C23 H23A 109.9 .
C22 C23 H23A 109.9 .
O1 C23 H23B 109.9 .
C22 C23 H23B 109.9 .
H23A C23 H23B 108.3 .
N2A C24 C25 121.5(13) .
N2A C24 H24 119.3 .
C25 C24 H24 119.3 .
C24 C25 C26 119.4(14) .
C24 C25 H25 120.3 .
C26 C25 H25 120.3 .
C27 C26 C25 119.4(13) .
C27 C26 H26 120.3 .
C25 C26 H26 120.3 .
C26 C27 C28 119.7(12) .
C26 C27 H27 120.2 .
C28 C27 H27 120.2 .
N2A C28 C27 121.3(12) .
N2A C28 C29 115.3(11) .
C27 C28 C29 123.4(11) .
C30 C29 N2B 118.2(12) .
C30 C29 C28 126.7(11) .
N2B C29 C28 115.0(10) .
C31 C30 C29 121.2(13) .
C31 C30 H30 119.4 .
C29 C30 H30 119.4 .
C30 C31 C32 120.4(13) .
C30 C31 H31 119.8 .
C32 C31 H31 119.8 .
C33 C32 C31 120.5(14) .
C33 C32 H32 119.7 .
C31 C32 H32 119.7 .
C32 C33 H33 120.3 .
O7 C35 C36 111.7(11) .
O7 C35 H35A 109.3 .
C36 C35 H35A 109.3 .
O7 C35 H35B 109.3 .
C36 C35 H35B 109.3 .
H35A C35 H35B 107.9 .
O8 C36 C35 107.4(11) .
O8 C36 H36A 110.2 .
C35 C36 H36A 110.2 .
O8 C36 H36B 110.2 .
C35 C36 H36B 110.2 .
H36A C36 H36B 108.5 .
O8 C37 C38 107.9(11) .
O8 C37 H37A 110.1 .
C38 C37 H37A 110.1 .
O8 C37 H37B 110.1 .
C38 C37 H37B 110.1 .
H37A C37 H37B 108.4 .
O9 C38 C37 107.4(11) .
O9 C38 H38A 110.2 .
C37 C38 H38A 110.2 .
O9 C38 H38B 110.2 .
C37 C38 H38B 110.2 .
H38A C38 H38B 108.5 .
O9 C39 C40 107.9(12) .
O9 C39 H39A 110.1 .
C40 C39 H39A 110.1 .
O9 C39 H39B 110.1 .
C40 C39 H39B 110.1 .
H39A C39 H39B 108.4 .
O10 C40 C39 107.8(11) .
O10 C40 H40A 110.1 .
C39 C40 H40A 110.1 .
O10 C40 H40B 110.1 .
C39 C40 H40B 110.1 .
H40A C40 H40B 108.5 .
O10 C41 C42 108.2(12) .
O10 C41 H41A 110.1 .
C42 C41 H41A 110.1 .
O10 C41 H41B 110.1 .
C42 C41 H41B 110.1 .
H41A C41 H41B 108.4 .
O11 C42 C41 108.1(13) .
O11 C42 H42A 110.1 .
C41 C42 H42A 110.1 .
O11 C42 H42B 110.1 .
C41 C42 H42B 110.1 .
H42A C42 H42B 108.4 .
O11 C43 C44 109.6(13) .
O11 C43 H43A 109.8 .
C44 C43 H43A 109.8 .
O11 C43 H43B 109.8 .
C44 C43 H43B 109.8 .
H43A C43 H43B 108.2 .
O12 C44 C43 108.7(11) .
O12 C44 H44A 109.9 .
C43 C44 H44A 109.9 .
O12 C44 H44B 109.9 .
C43 C44 H44B 109.9 .
H44A C44 H44B 108.3 .
O12 C45 C46 108.4(11) .
O12 C45 H45A 110.0 .
C46 C45 H45A 110.0 .
O12 C45 H45B 110.0 .
C46 C45 H45B 110.0 .
H45A C45 H45B 108.4 .
O7 C46 C45 110.8(11) .
O7 C46 H46A 109.5 .
C45 C46 H46A 109.5 .
O7 C46 H46B 109.5 .
C45 C46 H46B 109.5 .
H46A C46 H46B 108.1 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N1B 1.989(12) .
Pt1 N1A 1.993(11) .
Pt1 Cl2 2.363(3) .
Pt1 Cl1 2.365(3) .
Pt2 N2B 1.999(11) .
Pt2 N2A 2.005(11) .
Pt2 Cl3 2.369(3) .
Pt2 Cl4 2.383(3) .
K1 O1 2.755(9) .
K1 O3A 2.794(18) .
K1 O3B 2.81(4) .
K1 O5 2.817(11) .
K1 O6 2.885(11) .
K1 O4A 2.890(15) .
K1 O4B 2.90(3) .
K1 O13 2.927(12) .
K1 O2 2.932(10) .
K1 Cl2 3.185(4) .
K1 Cl1 3.368(4) .
K1 C13 3.522(15) .
K2 O7 2.868(9) .
K2 O12 2.883(10) .
K2 O10 2.890(10) .
K2 O8 2.920(10) .
K2 O9 2.993(10) .
K2 O11 3.068(11) .
K2 Cl3 3.155(4) .
K2 Cl4 3.298(4) .
K2 O13 3.303(11) .
K2 C18 3.47(2) 1_455
O1 C12 1.403(18) .
O1 C23 1.423(19) .
O2 C13 1.397(16) .
O2 C14 1.433(17) .
O3A O3B 0.78(4) .
O3A C16 1.41(2) .
O3A C15 1.42(2) .
O4A O4B 0.96(3) .
O4A C17 1.33(2) .
O4A C18 1.48(2) .
O5 C20 1.429(19) .
O5 C19 1.450(19) .
O6 C21 1.423(18) .
O6 C22 1.432(16) .
O7 C46 1.351(16) .
O7 C35 1.388(16) .
O8 C37 1.418(16) .
O8 C36 1.428(16) .
O9 C39 1.400(16) .
O9 C38 1.438(19) .
O10 C40 1.414(19) .
O10 C41 1.429(18) .
O11 C43 1.41(2) .
O11 C42 1.411(17) .
O12 C44 1.423(17) .
O12 C45 1.440(16) .
N1A C1 1.358(18) .
N1A C5 1.399(17) .
N1B C6 1.381(16) .
N2A C28 1.371(16) .
N2A C24 1.383(17) .
N2B C29 1.417(16) .
C1 C2 1.404(19) .
C1 H1 0.9500 .
C2 C3 1.38(2) .
C2 H2 0.9500 .
C3 C4 1.37(2) .
C3 H3 0.9500 .
C4 C5 1.379(18) .
C4 H4 0.9500 .
C5 C6 1.452(18) .
C6 C7 1.372(17) .
C7 C8 1.39(2) .
C7 H7 0.9500 .
C8 C9 1.375(19) .
C8 H8 0.9500 .
C9 C10 1.388(19) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C12 C13 1.54(2) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.48(2) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C16 C17 1.46(2) .
C18 C19 1.50(3) .
C18 K2 3.47(2) 1_655
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.49(2) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.51(2) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.389(19) .
C24 H24 0.9500 .
C25 C26 1.39(2) .
C25 H25 0.9500 .
C26 C27 1.39(2) .
C26 H26 0.9500 .
C27 C28 1.396(18) .
C27 H27 0.9500 .
C28 C29 1.417(18) .
C29 C30 1.404(17) .
C30 C31 1.35(2) .
C30 H30 0.9500 .
C31 C32 1.39(2) .
C31 H31 0.9500 .
C32 C33 1.39(2) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C35 C36 1.50(2) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.52(2) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.51(2) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C42 1.51(3) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C44 1.49(2) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C46 1.49(2) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
