#------------------------------------------------------------------------------
#$Date: 2015-05-20 05:41:08 +0300 (Wed, 20 May 2015) $
#$Revision: 137008 $
#$URL: svn://www.crystallography.net/cod/cif/2/24/07/2240744.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2240744
loop_
_publ_author_name
'Joo, Hea-Chung'
'Lee, Uk'
_publ_section_title
;
 Crystal structure of pentapotassium dihydrogen
 nonavanadato(V)platinate(IV) nonahydrate
;
_journal_coeditor_code           VN2093
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              647
_journal_page_last               649
_journal_paper_doi               10.1107/S2056989015009135
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'K5 [H2 Pt V9 O28], 9H2 O'
_chemical_formula_moiety         'H2 O28 Pt V9, 9(H2 O), 5(K)'
_chemical_formula_structural     'Pt H2 V9 O28, 98(H2 O), K5'
_chemical_formula_sum            'H20 K5 O37 Pt V9'
_chemical_formula_weight         1461.21
_chemical_name_systematic
;
Pentapotassium dihydrogen nonavanadato(V)platinate(IV) nonahydrate
;
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                103.734(5)
_cell_angle_beta                 106.193(6)
_cell_angle_gamma                92.480(4)
_cell_formula_units_Z            2
_cell_length_a                   10.1663(7)
_cell_length_b                   12.8350(7)
_cell_length_c                   13.615(2)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      10.50
_cell_measurement_theta_min      9.55
_cell_volume                     1645.8(3)
_computing_cell_refinement
;
STADI4 (Stoe & Cie, 1996)
;
_computing_data_collection
;
STADI4 (Stoe & Cie, 1996)
;
_computing_data_reduction
;
X-RED (Stoe & Cie, 1996)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows  (Farrugia, 2012) and
DIAMOND (Brandenburg, 1998)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS2014 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Stoe Stadi4'
_diffrn_measurement_method       'ω/2-θ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6797
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         26.485
_diffrn_reflns_theta_min         1.613
_diffrn_standards_decay_%        2.5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.421
_exptl_absorpt_correction_T_max  0.3778
_exptl_absorpt_correction_T_min  0.3010
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
(X-SHAPE; Stoe & Cie,1996)
;
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    2.949
_exptl_crystal_description       block
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.297
_refine_diff_density_min         -1.463
_refine_ls_extinction_coef       0.00505(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2014 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         6797
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0277
_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)+(0.0277P)²+4.5476P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0612
_refine_ls_wR_factor_ref         0.0655
_reflns_number_gt                6242
_reflns_number_total             6797
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            vn2093sup1.cf
_cod_data_source_block           I
_cod_database_code               2240744
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
Pt Pt1 0.07476(2) 0.66204(2) 0.15945(2) 0.01102(6) Uani d 1
V V1 0.08091(8) 0.74803(6) -0.03864(6) 0.01675(16) Uani d 1
V V2 0.05610(8) 0.57644(6) 0.35482(6) 0.01798(16) Uani d 1
V V3 0.36393(8) 0.67118(6) 0.46862(6) 0.01860(17) Uani d 1
V V4 0.38427(7) 0.76066(6) 0.27828(6) 0.01375(15) Uani d 1
V V5 0.38558(8) 0.84633(6) 0.08300(6) 0.01680(16) Uani d 1
V V6 0.15181(8) 0.90837(6) 0.19135(6) 0.01625(16) Uani d 1
V V7 0.14522(8) 0.82358(6) 0.38572(6) 0.01838(17) Uani d 1
V V8 0.28571(8) 0.50931(6) 0.24210(6) 0.01521(16) Uani d 1
V V9 0.30124(8) 0.59746(6) 0.04752(6) 0.01441(15) Uani d 1
K K1 0.19325(16) 0.94505(11) 0.81002(11) 0.0433(3) Uani d 1
K K2 0.32640(13) 0.27185(9) 0.99666(11) 0.0329(3) Uani d 1
K K3 0.29033(13) 0.19821(10) 0.25987(10) 0.0353(3) Uani d 1
K K4 0.1688(2) 0.15936(14) 0.5300(2) 0.0819(7) Uani d 1
K K5 0.33393(14) 0.48579(12) 0.61615(13) 0.0439(3) Uani d 1
O O1D 0.2234(3) 0.7454(2) 0.1318(2) 0.0148(6) Uani d 1
O O2D 0.2133(3) 0.6723(2) 0.2981(2) 0.0148(6) Uani d 1
O O3C 0.0321(3) 0.8071(2) 0.2320(2) 0.0156(6) Uani d 1
O O4C 0.1590(3) 0.5298(2) 0.1039(2) 0.0137(6) Uani d 1
O O5C 0.2793(3) 0.8770(2) 0.3209(2) 0.0165(6) Uani d 1
O O6C 0.3986(3) 0.6174(2) 0.2014(2) 0.0147(6) Uani d 1
O O7B -0.0627(3) 0.5793(3) 0.2053(3) 0.0159(6) Uani d 1
H H7 -0.086(8) 0.519(6) 0.152(6) 0.07(2) Uiso d 1
O O8B -0.0508(3) 0.6659(3) 0.0160(3) 0.0168(7) Uani d 1
H H8 -0.067(6) 0.609(5) -0.023(5) 0.021(15) Uiso d 1
O O9B 0.2105(3) 0.5994(3) 0.4730(3) 0.0202(7) Uani d 1
O O10B 0.4757(3) 0.7538(3) 0.3997(3) 0.0207(7) Uani d 1
O O11B 0.4856(3) 0.8317(3) 0.2321(3) 0.0179(7) Uani d 1
O O12B 0.2409(3) 0.8257(3) -0.0358(3) 0.0197(7) Uani d 1
O O13B 0.0439(3) 0.8680(2) 0.0548(3) 0.0182(7) Uani d 1
O O14B 0.3033(3) 0.9526(2) 0.1585(3) 0.0174(6) Uani d 1
O O15B 0.2871(3) 0.8035(3) 0.4919(3) 0.0215(7) Uani d 1
O O16B 0.0221(3) 0.7196(3) 0.3937(3) 0.0204(7) Uani d 1
O O17B 0.1402(3) 0.4691(2) 0.2815(3) 0.0176(6) Uani d 1
O O18B 0.4015(3) 0.5523(3) 0.3774(3) 0.0184(7) Uani d 1
O O19B 0.1590(3) 0.6178(2) -0.0635(2) 0.0158(6) Uani d 1
O O20B 0.4224(3) 0.7028(3) 0.0424(3) 0.0179(7) Uani d 1
O O21T -0.0224(4) 0.7505(3) -0.1503(3) 0.0270(8) Uani d 1
O O22T -0.0570(4) 0.5099(3) 0.3842(3) 0.0257(8) Uani d 1
O O23T 0.4743(4) 0.6778(3) 0.5812(3) 0.0287(8) Uani d 1
O O24T 0.5067(3) 0.9142(3) 0.0618(3) 0.0238(7) Uani d 1
O O25T 0.0976(4) 1.0199(3) 0.2403(3) 0.0245(7) Uani d 1
O O26T 0.0934(4) 0.9340(3) 0.4384(3) 0.0301(8) Uani d 1
O O27T 0.3379(4) 0.3970(3) 0.1941(3) 0.0237(7) Uani d 1
O O28T 0.3493(4) 0.4863(3) -0.0055(3) 0.0234(7) Uani d 1
O O1W 0.1060(6) 0.7552(4) 0.6420(4) 0.0514(12) Uani d 1
H H1A 0.154(8) 0.721(6) 0.681(5) 0.077 Uiso d 1
H H1B 0.133(8) 0.750(7) 0.589(4) 0.077 Uiso d 1
O O2W 0.3763(6) 0.9426(4) 0.6891(4) 0.0618(15) Uani d 1
H H2A 0.347(9) 0.908(6) 0.623(3) 0.093 Uiso d 1
H H2B 0.428(8) 0.997(5) 0.688(6) 0.093 Uiso d 1
O O3W 0.2228(5) 0.1440(4) 0.7752(6) 0.0660(17) Uani d 1
H H3A 0.143(5) 0.161(7) 0.775(8) 0.099 Uiso d 1
H H3B 0.268(7) 0.197(5) 0.770(8) 0.099 Uiso d 1
O O4W 0.2138(4) 0.0846(3) 0.0168(4) 0.0356(9) Uani d 1
H H4A 0.132(4) 0.097(5) 0.007(6) 0.053 Uiso d 1
H H4B 0.224(6) 0.029(4) 0.038(6) 0.053 Uiso d 1
O O5W 0.5107(5) 0.1657(4) 0.1656(4) 0.0495(12) Uani d 1
H H5A 0.550(8) 0.130(5) 0.210(4) 0.074 Uiso d 1
H H5B 0.481(8) 0.120(5) 0.106(3) 0.074 Uiso d 1
O O6W 0.3583(5) 0.0913(4) 0.4279(4) 0.0552(13) Uani d 1
H H6A 0.3463 0.0134 0.4006 0.083 Uiso calc 1
H H6B 0.4520 0.1148 0.4737 0.083 Uiso calc 1
O O7W 0.3045(5) 0.3465(4) 0.7411(4) 0.0471(12) Uani d 1
H H7A 0.242(5) 0.367(6) 0.769(6) 0.071 Uiso d 1
H H7B 0.373(5) 0.394(5) 0.774(6) 0.071 Uiso d 1
O O8W 0.3022(6) 0.6482(5) 0.7759(4) 0.0634(15) Uani d 1
H H8A 0.375(6) 0.694(6) 0.797(6) 0.095 Uiso d 1
H H8B 0.287(9) 0.645(7) 0.834(4) 0.095 Uiso d 1
O O9W 0.1770(7) 0.3233(4) 0.4164(5) 0.0629(15) Uani d 1
H H9A 0.265(3) 0.341(8) 0.444(7) 0.094 Uiso d 1
H H9B 0.159(8) 0.357(7) 0.368(5) 0.094 Uiso d 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
V V 0.3005 0.5294 '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'
K K 0.2009 0.2494 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1D Pt1 O2D . . 84.61(12)
O1D Pt1 O4C . . 85.94(12)
O2D Pt1 O4C . . 85.94(12)
O1D Pt1 O3C . . 85.44(12)
O2D Pt1 O3C . . 84.79(12)
O4C Pt1 O3C . . 167.89(12)
O1D Pt1 O8B . . 88.49(13)
O2D Pt1 O8B . . 172.89(13)
O4C Pt1 O8B . . 95.27(13)
O3C Pt1 O8B . . 92.99(13)
O1D Pt1 O7B . . 173.32(13)
O2D Pt1 O7B . . 88.75(12)
O4C Pt1 O7B . . 94.36(12)
O3C Pt1 O7B . . 93.22(13)
O8B Pt1 O7B . . 98.12(13)
O1D Pt1 V6 . . 46.91(9)
O2D Pt1 V6 . . 88.79(9)
O4C Pt1 V6 . . 132.85(9)
O3C Pt1 V6 . . 39.21(9)
O8B Pt1 V6 . . 85.25(10)
O7B Pt1 V6 . . 132.36(9)
O1D Pt1 V8 . . 89.65(9)
O2D Pt1 V8 . . 46.63(9)
O4C Pt1 V8 . . 40.00(9)
O3C Pt1 V8 . . 131.42(9)
O8B Pt1 V8 . . 135.22(10)
O7B Pt1 V8 . . 86.34(9)
V6 Pt1 V8 . . 123.63(2)
O1D Pt1 V9 . . 46.16(9)
O2D Pt1 V9 . . 89.07(9)
O4C Pt1 V9 . . 40.35(9)
O3C Pt1 V9 . . 131.59(9)
O8B Pt1 V9 . . 87.36(10)
O7B Pt1 V9 . . 134.69(9)
V6 Pt1 V9 . . 92.83(2)
V8 Pt1 V9 . . 60.54(2)
O1D Pt1 V7 . . 88.61(9)
O2D Pt1 V7 . . 45.87(9)
O4C Pt1 V7 . . 131.81(9)
O3C Pt1 V7 . . 39.46(9)
O8B Pt1 V7 . . 132.43(10)
O7B Pt1 V7 . . 86.22(9)
V6 Pt1 V7 . . 59.41(2)
V8 Pt1 V7 . . 92.22(2)
V9 Pt1 V7 . . 122.21(2)
O1D Pt1 V4 . . 42.45(9)
O2D Pt1 V4 . . 42.16(9)
O4C Pt1 V4 . . 84.02(8)
O3C Pt1 V4 . . 83.88(9)
O8B Pt1 V4 . . 130.94(9)
O7B Pt1 V4 . . 130.91(9)
V6 Pt1 V4 . . 62.06(2)
V8 Pt1 V4 . . 61.58(2)
V9 Pt1 V4 . . 61.05(2)
V7 Pt1 V4 . . 61.17(2)
O1D Pt1 V2 . . 133.30(9)
O2D Pt1 V2 . . 48.70(9)
O4C Pt1 V2 . . 90.75(9)
O3C Pt1 V2 . . 88.98(9)
O8B Pt1 V2 . . 138.14(9)
O7B Pt1 V2 . . 40.05(9)
V6 Pt1 V2 . . 119.45(2)
V8 Pt1 V2 . . 60.73(2)
V9 Pt1 V2 . . 121.27(2)
V7 Pt1 V2 . . 60.08(2)
V4 Pt1 V2 . . 90.86(2)
O21T V1 O12B . . 102.27(17)
O21T V1 O13B . . 102.73(17)
O12B V1 O13B . . 90.13(14)
O21T V1 O19B . . 105.72(16)
O12B V1 O19B . . 91.05(14)
O13B V1 O19B . . 150.57(14)
O21T V1 O8B . . 99.44(16)
O12B V1 O8B . . 158.14(14)
O13B V1 O8B . . 82.64(14)
O19B V1 O8B . . 85.45(14)
O21T V1 O1D . . 176.60(16)
O12B V1 O1D . . 80.42(12)
O13B V1 O1D . . 75.06(12)
O19B V1 O1D . . 76.16(12)
O8B V1 O1D . . 77.79(12)
O22T V2 O9B . . 103.62(17)
O22T V2 O16B . . 104.45(17)
O9B V2 O16B . . 91.43(15)
O22T V2 O17B . . 104.04(17)
O9B V2 O17B . . 88.97(14)
O16B V2 O17B . . 150.56(14)
O22T V2 O7B . . 97.56(16)
O9B V2 O7B . . 158.78(14)
O16B V2 O7B . . 84.50(14)
O17B V2 O7B . . 84.59(13)
O22T V2 O2D . . 175.77(15)
O9B V2 O2D . . 80.53(13)
O16B V2 O2D . . 76.07(13)
O17B V2 O2D . . 74.97(12)
O7B V2 O2D . . 78.27(11)
O23T V3 O9B . . 104.10(17)
O23T V3 O18B . . 104.12(17)
O9B V3 O18B . . 92.55(15)
O23T V3 O15B . . 103.56(18)
O9B V3 O15B . . 90.80(15)
O18B V3 O15B . . 150.37(14)
O23T V3 O10B . . 101.92(16)
O9B V3 O10B . . 153.94(14)
O18B V3 O10B . . 82.41(14)
O15B V3 O10B . . 81.76(14)
O23T V3 O2D . . 174.90(16)
O9B V3 O2D . . 80.92(13)
O18B V3 O2D . . 76.28(12)
O15B V3 O2D . . 75.21(12)
O10B V3 O2D . . 73.04(12)
O10B V4 O11B . . 108.05(16)
O10B V4 O6C . . 98.10(15)
O11B V4 O6C . . 99.13(15)
O10B V4 O5C . . 98.12(15)
O11B V4 O5C . . 96.71(15)
O6C V4 O5C . . 152.55(13)
O10B V4 O2D . . 87.63(14)
O11B V4 O2D . . 164.23(14)
O6C V4 O2D . . 79.74(12)
O5C V4 O2D . . 78.95(12)
O10B V4 O1D . . 164.37(14)
O11B V4 O1D . . 87.58(14)
O6C V4 O1D . . 79.38(12)
O5C V4 O1D . . 79.03(12)
O2D V4 O1D . . 76.74(12)
O24T V5 O12B . . 104.93(17)
O24T V5 O20B . . 103.26(16)
O12B V5 O20B . . 91.36(15)
O24T V5 O14B . . 103.76(16)
O12B V5 O14B . . 91.43(15)
O20B V5 O14B . . 151.11(14)
O24T V5 O11B . . 100.00(16)
O12B V5 O11B . . 155.07(14)
O20B V5 O11B . . 82.61(14)
O14B V5 O11B . . 82.82(14)
O24T V5 O1D . . 173.91(15)
O12B V5 O1D . . 81.14(13)
O20B V5 O1D . . 75.91(12)
O14B V5 O1D . . 76.13(12)
O11B V5 O1D . . 73.92(11)
O25T V6 O13B . . 103.58(16)
O25T V6 O14B . . 103.90(16)
O13B V6 O14B . . 94.04(15)
O25T V6 O3C . . 97.90(16)
O13B V6 O3C . . 91.22(14)
O14B V6 O3C . . 155.66(14)
O25T V6 O5C . . 102.60(16)
O13B V6 O5C . . 152.25(14)
O14B V6 O5C . . 88.47(14)
O3C V6 O5C . . 76.20(13)
O25T V6 O1D . . 175.51(15)
O13B V6 O1D . . 78.63(13)
O14B V6 O1D . . 79.71(12)
O3C V6 O1D . . 78.07(12)
O5C V6 O1D . . 74.63(12)
O26T V7 O15B . . 103.92(18)
O26T V7 O16B . . 102.74(18)
O15B V7 O16B . . 95.34(16)
O26T V7 O5C . . 102.03(17)
O15B V7 O5C . . 89.99(14)
O16B V7 O5C . . 152.57(14)
O26T V7 O3C . . 98.14(17)
O15B V7 O3C . . 155.92(14)
O16B V7 O3C . . 89.04(14)
O5C V7 O3C . . 75.93(13)
O26T V7 O2D . . 175.00(16)
O15B V7 O2D . . 80.25(13)
O16B V7 O2D . . 79.42(13)
O5C V7 O2D . . 75.00(12)
O3C V7 O2D . . 77.31(12)
O27T V8 O17B . . 104.28(16)
O27T V8 O18B . . 102.86(16)
O17B V8 O18B . . 94.12(15)
O27T V8 O6C . . 101.85(16)
O17B V8 O6C . . 152.21(14)
O18B V8 O6C . . 89.12(14)
O27T V8 O4C . . 98.38(15)
O17B V8 O4C . . 91.54(13)
O18B V8 O4C . . 155.90(13)
O6C V8 O4C . . 75.36(12)
O27T V8 O2D . . 175.32(15)
O17B V8 O2D . . 78.97(13)
O18B V8 O2D . . 80.09(13)
O6C V8 O2D . . 74.42(12)
O4C V8 O2D . . 78.04(11)
O28T V9 O20B . . 105.26(16)
O28T V9 O19B . . 102.34(16)
O20B V9 O19B . . 94.63(14)
O28T V9 O6C . . 102.11(16)
O20B V9 O6C . . 90.31(14)
O19B V9 O6C . . 152.78(13)
O28T V9 O4C . . 96.57(15)
O20B V9 O4C . . 156.16(14)
O19B V9 O4C . . 89.88(13)
O6C V9 O4C . . 75.62(12)
O28T V9 O1D . . 174.17(15)
O20B V9 O1D . . 80.02(13)
O19B V9 O1D . . 79.42(12)
O6C V9 O1D . . 75.11(12)
O4C V9 O1D . . 77.82(11)
V5 V1 Pt1 . . 87.93(2)
V5 V1 V6 . . 60.31(2)
Pt1 V1 V6 . . 58.97(2)
V5 V1 V9 . . 60.15(2)
Pt1 V1 V9 . . 59.27(2)
V6 V1 V9 . . 90.89(3)
V5 V1 V4 . . 43.54(2)
Pt1 V1 V4 . . 44.385(15)
V6 V1 V4 . . 45.82(2)
V9 V1 V4 . . 45.099(19)
V3 V2 V7 . . 60.71(3)
V3 V2 Pt1 . . 88.53(3)
V7 V2 Pt1 . . 59.81(2)
V3 V2 V8 . . 59.96(3)
V7 V2 V8 . . 91.11(3)
Pt1 V2 V8 . . 59.15(2)
V3 V2 V4 . . 43.98(2)
V7 V2 V4 . . 45.49(2)
Pt1 V2 V4 . . 44.562(14)
V8 V2 V4 . . 45.641(19)
V3 V2 V1 . . 89.54(2)
V7 V2 V1 . . 59.98(2)
Pt1 V2 V1 . . 1.113(10)
V8 V2 V1 . . 60.11(2)
V4 V2 V1 . . 45.564(14)
V2 V3 V4 . . 92.11(3)
V2 V3 V8 . . 60.89(3)
V4 V3 V8 . . 61.69(3)
V2 V3 V7 . . 60.19(3)
V4 V3 V7 . . 61.23(2)
V8 V3 V7 . . 91.34(3)
V5 V4 Pt1 . . 88.17(2)
V3 V4 Pt1 . . 88.48(2)
V5 V4 V9 . . 60.06(2)
V3 V4 V9 . . 118.47(3)
Pt1 V4 V9 . . 59.155(19)
V5 V4 V7 . . 117.42(3)
V3 V4 V7 . . 60.12(3)
Pt1 V4 V7 . . 59.28(2)
V9 V4 V7 . . 118.44(3)
V5 V4 V8 . . 118.99(3)
V3 V4 V8 . . 59.49(2)
Pt1 V4 V8 . . 58.745(19)
V9 V4 V8 . . 58.98(2)
V7 V4 V8 . . 89.47(3)
V4 V5 V1 . . 92.76(3)
V4 V5 V9 . . 61.29(2)
V1 V5 V9 . . 60.86(2)
V4 V5 V6 . . 62.06(2)
V1 V5 V6 . . 60.78(3)
V9 V5 V6 . . 91.58(3)
V4 V5 Pt1 . . 46.338(17)
V1 V5 Pt1 . . 46.428(18)
V9 V5 Pt1 . . 45.928(17)
V6 V5 Pt1 . . 45.659(17)
V7 V6 Pt1 . . 60.72(2)
V7 V6 V5 . . 118.88(3)
Pt1 V6 V5 . . 87.85(2)
V7 V6 V1 . . 120.95(3)
Pt1 V6 V1 . . 60.23(2)
V5 V6 V1 . . 58.91(2)
V6 V7 V3 . . 120.25(3)
Pt1 V7 V3 . . 87.79(2)
V2 V7 V3 . . 59.10(2)
V6 V7 V4 . . 61.64(2)
Pt1 V7 V4 . . 59.55(2)
V2 V7 V4 . . 89.94(3)
V3 V7 V4 . . 58.66(2)
Pt1 V8 V3 . . 88.63(2)
Pt1 V8 V9 . . 59.88(2)
V3 V8 V9 . . 119.00(3)
V3 V8 V2 . . 59.15(2)
V9 V8 V2 . . 120.00(3)
V3 V8 V4 . . 58.82(2)
V9 V8 V4 . . 60.19(2)
V2 V8 V4 . . 89.43(3)
Pt1 V9 V8 . . 59.58(2)
Pt1 V9 V5 . . 87.73(2)
V8 V9 V5 . . 119.42(3)
Pt1 V9 V1 . . 60.07(2)
V8 V9 V1 . . 119.64(3)
V5 V9 V1 . . 58.99(2)
Pt1 V9 V4 . . 59.80(2)
V8 V9 V4 . . 60.83(2)
V5 V9 V4 . . 58.65(2)
V1 V9 V4 . . 90.08(3)
O3W K1 O2W 1_565 . 71.45(18)
O3W K1 O1W 1_565 . 122.0(2)
O2W K1 O1W . . 73.89(15)
O3W K1 O12B 1_565 1_556 145.45(18)
O2W K1 O12B . 1_556 118.85(16)
O1W K1 O12B . 1_556 92.12(13)
O3W K1 O4W 1_565 1_566 78.75(18)
O2W K1 O4W . 1_566 128.72(14)
O1W K1 O4W . 1_566 155.55(14)
O12B K1 O4W 1_556 1_566 69.55(10)
O3W K1 O25T 1_565 2_576 82.50(12)
O2W K1 O25T . 2_576 129.92(16)
O1W K1 O25T . 2_576 85.91(13)
O12B K1 O25T 1_556 2_576 106.98(11)
O4W K1 O25T 1_566 2_576 84.34(11)
O3W K1 O24T 1_565 2_676 65.13(14)
O2W K1 O24T . 2_676 65.37(12)
O1W K1 O24T . 2_676 133.36(13)
O12B K1 O24T 1_556 2_676 88.44(10)
O4W K1 O24T 1_566 2_676 64.45(10)
O25T K1 O24T 2_576 2_676 138.04(10)
O3W K1 O5W 1_565 2_666 110.45(14)
O2W K1 O5W . 2_666 51.31(16)
O1W K1 O5W . 2_666 79.54(14)
O12B K1 O5W 1_556 2_666 67.77(12)
O4W K1 O5W 1_566 2_666 106.58(12)
O25T K1 O5W 2_576 2_666 164.20(12)
O24T K1 O5W 2_676 2_666 57.73(10)
O4W K2 O27T 1_556 1_556 96.79(13)
O4W K2 O28T 1_556 1_556 157.70(12)
O27T K2 O28T 1_556 1_556 71.43(10)
O4W K2 O20B 1_556 2_666 124.36(11)
O27T K2 O20B 1_556 2_666 110.65(11)
O28T K2 O20B 1_556 2_666 77.91(10)
O4W K2 O8B 1_556 2_566 82.79(11)
O27T K2 O8B 1_556 2_566 73.02(10)
O28T K2 O8B 1_556 2_566 75.73(10)
O20B K2 O8B 2_666 2_566 150.46(10)
O4W K2 O3W 1_556 . 78.19(15)
O27T K2 O3W 1_556 . 162.23(13)
O28T K2 O3W 1_556 . 107.12(13)
O20B K2 O3W 2_666 . 85.81(12)
O8B K2 O3W 2_566 . 89.37(12)
O4W K2 O24T 1_556 2_666 69.29(11)
O27T K2 O24T 1_556 2_666 128.86(11)
O28T K2 O24T 1_556 2_666 132.88(10)
O20B K2 O24T 2_666 2_666 55.63(9)
O8B K2 O24T 2_566 2_666 145.32(10)
O3W K2 O24T . 2_666 65.65(11)
O4W K2 O5W 1_556 1_556 63.16(12)
O27T K2 O5W 1_556 1_556 72.57(12)
O28T K2 O5W 1_556 1_556 126.96(12)
O20B K2 O5W 2_666 1_556 79.90(12)
O8B K2 O5W 2_566 1_556 127.23(12)
O3W K2 O5W . 1_556 118.55(13)
O24T K2 O5W 2_666 1_556 57.03(11)
O23T K3 O25T 2_666 1_545 136.47(11)
O23T K3 O5W 2_666 . 75.77(13)
O25T K3 O5W 1_545 . 120.42(12)
O23T K3 O6W 2_666 . 72.84(12)
O25T K3 O6W 1_545 . 64.17(12)
O5W K3 O6W . . 104.30(15)
O23T K3 O9W 2_666 . 76.16(15)
O25T K3 O9W 1_545 . 87.40(14)
O5W K3 O9W . . 150.12(16)
O6W K3 O9W . . 76.75(14)
O23T K3 O21T 2_666 2_565 133.79(11)
O25T K3 O21T 1_545 2_565 74.44(10)
O5W K3 O21T . 2_565 123.14(14)
O6W K3 O21T . 2_565 128.44(13)
O9W K3 O21T . 2_565 71.85(14)
O23T K3 O27T 2_666 . 74.05(10)
O25T K3 O27T 1_545 . 146.54(11)
O5W K3 O27T . . 73.96(12)
O6W K3 O27T . . 146.13(12)
O9W K3 O27T . . 88.67(13)
O21T K3 O27T 2_565 . 72.77(10)
O23T K3 O4W 2_666 . 136.36(11)
O25T K3 O4W 1_545 . 78.53(11)
O5W K3 O4W . . 61.86(12)
O6W K3 O4W . . 125.62(12)
O9W K3 O4W . . 141.67(15)
O21T K3 O4W 2_565 . 70.07(10)
O27T K3 O4W . . 84.26(10)
O23T K3 O14B 2_666 1_545 119.30(11)
O25T K3 O14B 1_545 1_545 53.38(9)
O5W K3 O14B . 1_545 67.26(11)
O6W K3 O14B . 1_545 72.00(11)
O9W K3 O14B . 1_545 137.58(13)
O21T K3 O14B 2_565 1_545 106.80(10)
O27T K3 O14B . 1_545 132.52(10)
O4W K3 O14B . 1_545 53.88(9)
O6W K4 O16B . 2_566 162.73(15)
O6W K4 O26T . 1_545 73.88(13)
O16B K4 O26T 2_566 1_545 118.24(13)
O6W K4 O9W . . 78.81(17)
O16B K4 O9W 2_566 . 83.95(15)
O26T K4 O9W 1_545 . 126.27(17)
O6W K4 O26T . 2_566 138.56(13)
O16B K4 O26T 2_566 2_566 54.50(10)
O26T K4 O26T 1_545 2_566 64.75(12)
O9W K4 O26T . 2_566 124.14(16)
O6W K4 O7W . . 111.55(14)
O16B K4 O7W 2_566 . 65.92(11)
O26T K4 O7W 1_545 . 146.61(15)
O9W K4 O7W . . 86.49(16)
O26T K4 O7W 2_566 . 104.46(12)
O6W K4 O3W . . 118.81(16)
O16B K4 O3W 2_566 . 74.21(12)
O26T K4 O3W 1_545 . 95.01(14)
O9W K4 O3W . . 138.71(17)
O26T K4 O3W 2_566 . 68.97(12)
O7W K4 O3W . . 52.73(14)
O8W K5 O18B . 2_666 116.68(16)
O8W K5 O9B . . 88.96(16)
O18B K5 O9B 2_666 . 115.20(11)
O8W K5 O7W . . 86.37(17)
O18B K5 O7W 2_666 . 94.58(12)
O9B K5 O7W . . 148.49(12)
O8W K5 O22T . 2_566 67.49(15)
O18B K5 O22T 2_666 2_566 170.27(11)
O9B K5 O22T . 2_566 72.81(10)
O7W K5 O22T . 2_566 76.63(12)
O8W K5 O9W . . 142.73(18)
O18B K5 O9W 2_666 . 100.56(14)
O9B K5 O9W . . 73.02(12)
O7W K5 O9W . . 92.42(15)
O22T K5 O9W 2_566 . 75.98(14)
O8W K5 O23T . . 78.72(14)
O18B K5 O23T 2_666 . 71.86(10)
O9B K5 O23T . . 55.51(10)
O7W K5 O23T . . 152.01(14)
O22T K5 O23T 2_566 . 117.87(11)
O9W K5 O23T . . 113.75(13)
Pt1 O1D V4 . . 99.17(13)
Pt1 O1D V9 . . 94.73(12)
V4 O1D V9 . . 92.37(12)
Pt1 O1D V6 . . 93.70(12)
V4 O1D V6 . . 93.47(12)
V9 O1D V6 . . 168.86(15)
Pt1 O1D V1 . . 92.47(12)
V4 O1D V1 . . 168.36(15)
V9 O1D V1 . . 86.35(11)
V6 O1D V1 . . 86.01(10)
Pt1 O1D V5 . . 174.40(16)
V4 O1D V5 . . 86.40(11)
V9 O1D V5 . . 85.49(10)
V6 O1D V5 . . 85.42(10)
V1 O1D V5 . . 81.96(10)
Pt1 O2D V4 . . 99.47(13)
Pt1 O2D V7 . . 95.20(12)
V4 O2D V7 . . 93.10(11)
Pt1 O2D V8 . . 94.04(12)
V4 O2D V8 . . 93.16(12)
V7 O2D V8 . . 167.84(15)
Pt1 O2D V2 . . 92.35(11)
V4 O2D V2 . . 168.17(15)
V7 O2D V2 . . 85.63(11)
V8 O2D V2 . . 86.10(10)
Pt1 O2D V3 . . 173.86(16)
V4 O2D V3 . . 86.57(10)
V7 O2D V3 . . 85.52(10)
V8 O2D V3 . . 84.47(10)
V2 O2D V3 . . 81.61(10)
V6 O3C Pt1 . . 101.52(13)
V6 O3C V7 . . 99.96(13)
Pt1 O3C V7 . . 101.69(14)
Pt1 O4C V8 . . 100.70(13)
Pt1 O4C V9 . . 100.45(13)
V8 O4C V9 . . 100.37(13)
V4 O5C V7 . . 109.01(15)
V4 O5C V6 . . 109.70(15)
V7 O5C V6 . . 101.51(14)
V4 O6C V9 . . 109.15(14)
V4 O6C V8 . . 108.85(15)
V9 O6C V8 . . 103.00(13)
Pt1 O7B V2 . . 100.62(13)
Pt1 O8B V1 . . 101.22(14)
V4 O10B V3 . . 112.76(17)
V4 O11B V5 . . 112.09(16)
V5 O12B V1 . . 116.48(17)
V6 O13B V1 . . 119.14(17)
V6 O14B V5 . . 117.51(16)
V7 O15B V3 . . 117.70(17)
V7 O16B V2 . . 117.32(17)
V8 O17B V2 . . 118.96(16)
V8 O18B V3 . . 117.66(17)
V9 O19B V1 . . 116.70(16)
V9 O20B V5 . . 117.45(17)
H1A O1W H1B . . 109(5)
H2A O2W H2B . . 102(4)
H3A O3W H3B . . 107(5)
H4A O4W H4B . . 109(4)
H5A O5W H5B . . 106(4)
H6A O6W H6B . . 109.4
H7A O7W H7B . . 105(4)
H8A O8W H8B . . 103(4)
H9A O9W H9B . . 101(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Pt1 V6 . 3.1213(8)
Pt1 V8 . 3.1262(8)
Pt1 V9 . 3.1359(8)
Pt1 V7 . 3.1480(9)
Pt1 V4 . 3.1566(8)
Pt1 V2 . 3.1574(9)
V1 V5 . 3.1204(11)
V1 V6 . 3.1801(11)
V1 V9 . 3.1802(11)
V2 V3 . 3.1217(11)
V2 V7 . 3.1566(11)
V2 V8 . 3.1767(11)
V2 V4 . 4.4982(11)
V3 V4 . 3.1255(11)
V3 V8 . 3.1476(11)
V3 V7 . 3.1731(11)
V4 V5 . 3.1120(11)
V4 V9 . 3.1960(11)
V4 V7 . 3.2078(11)
V4 V8 . 3.2162(10)
V5 V9 . 3.1578(10)
V5 V6 . 3.1654(11)
V6 V7 . 3.1068(12)
V8 V9 . 3.1566(11)
Pt1 O1D . 1.985(3)
Pt1 O2D . 1.986(3)
Pt1 O4C . 2.015(3)
Pt1 O3C . 2.017(3)
Pt1 O8B . 2.027(3)
Pt1 O7B . 2.036(3)
V1 O21T . 1.598(3)
V1 O12B . 1.857(3)
V1 O13B . 1.876(3)
V1 O19B . 1.880(3)
V1 O8B . 2.064(3)
V1 O1D . 2.377(3)
V2 O22T . 1.596(3)
V2 O9B . 1.862(3)
V2 O16B . 1.863(3)
V2 O17B . 1.885(3)
V2 O7B . 2.067(3)
V2 O2D . 2.374(3)
V3 O23T . 1.608(3)
V3 O9B . 1.800(3)
V3 O18B . 1.853(3)
V3 O15B . 1.895(3)
V3 O10B . 2.064(3)
V3 O2D . 2.403(3)
V4 O10B . 1.681(3)
V4 O11B . 1.685(3)
V4 O6C . 1.921(3)
V4 O5C . 1.943(3)
V4 O2D . 2.148(3)
V4 O1D . 2.158(3)
V5 O24T . 1.607(3)
V5 O12B . 1.813(3)
V5 O20B . 1.878(3)
V5 O14B . 1.879(3)
V5 O11B . 2.058(3)
V5 O1D . 2.381(3)
V6 O25T . 1.617(3)
V6 O13B . 1.812(3)
V6 O14B . 1.824(3)
V6 O3C . 2.014(3)
V6 O5C . 2.015(3)
V6 O1D . 2.284(3)
V7 O26T . 1.610(3)
V7 O15B . 1.812(3)
V7 O16B . 1.832(3)
V7 O5C . 1.997(3)
V7 O3C . 2.043(3)
V7 O2D . 2.269(3)
V8 O27T . 1.612(3)
V8 O17B . 1.803(3)
V8 O18B . 1.826(3)
V8 O6C . 2.033(3)
V8 O4C . 2.045(3)
V8 O2D . 2.278(3)
V9 O28T . 1.601(3)
V9 O20B . 1.816(3)
V9 O19B . 1.856(3)
V9 O6C . 2.001(3)
V9 O4C . 2.064(3)
V9 O1D . 2.270(3)
K1 O3W 1_565 2.725(5)
K1 O2W . 2.804(6)
K1 O1W . 2.827(5)
K1 O12B 1_556 2.830(3)
K1 O4W 1_566 2.903(5)
K1 O25T 2_576 2.924(4)
K1 O24T 2_676 3.267(4)
K1 O5W 2_666 3.351(6)
K2 O4W 1_556 2.722(4)
K2 O27T 1_556 2.753(4)
K2 O28T 1_556 2.760(3)
K2 O20B 2_666 2.772(3)
K2 O8B 2_566 2.917(3)
K2 O3W . 2.936(7)
K2 O24T 2_666 3.069(4)
K2 O5W 1_556 3.156(5)
K3 O23T 2_666 2.844(4)
K3 O25T 1_545 2.860(4)
K3 O5W . 2.876(5)
K3 O6W . 2.878(6)
K3 O9W . 2.890(6)
K3 O21T 2_565 2.904(4)
K3 O27T . 2.960(4)
K3 O4W . 3.139(5)
K3 O14B 1_545 3.151(3)
K4 O6W . 2.733(5)
K4 O16B 2_566 2.806(4)
K4 O26T 1_545 2.841(4)
K4 O9W . 2.904(5)
K4 O26T 2_566 3.055(4)
K4 O7W . 3.187(6)
K4 O3W . 3.284(7)
K5 O8W . 2.734(6)
K5 O18B 2_666 2.736(3)
K5 O9B . 2.764(4)
K5 O7W . 2.803(5)
K5 O22T 2_566 2.817(4)
K5 O9W . 2.982(7)
K5 O23T . 2.996(4)
O7B H7 . 0.90(8)
O8B H8 . 0.77(6)
O1W H1A . 0.84(3)
O1W H1B . 0.83(3)
O2W H2A . 0.87(3)
O2W H2B . 0.86(3)
O3W H3A . 0.84(3)
O3W H3B . 0.83(3)
O4W H4A . 0.83(3)
O4W H4B . 0.83(3)
O5W H5A . 0.87(3)
O5W H5B . 0.84(3)
O6W H6A . 0.9700
O6W H6B . 0.9700
O7W H7A . 0.85(3)
O7W H7B . 0.84(3)
O8W H8A . 0.86(3)
O8W H8B . 0.86(3)
O9W H9A . 0.87(3)
O9W H9B . 0.85(3)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O7B H7 O19B 2_565 0.90(8) 1.86(8) 2.738(4) 164(8)
O8B H8 O4C 2_565 0.77(6) 1.90(6) 2.645(5) 161(6)
O1W H1B O9B . 0.83(3) 2.50(6) 3.127(6) 133(7)
O1W H1A O8W . 0.84(3) 2.10(3) 2.930(9) 170(8)
O2W H2A O15B . 0.87(3) 1.88(3) 2.728(6) 166(8)
O2W H2B O11B 2_676 0.86(3) 2.23(5) 2.975(6) 145(8)
O3W H3A O3C 2_566 0.84(3) 1.83(3) 2.673(5) 177(10)
O3W H3B O7W . 0.83(3) 2.09(5) 2.875(7) 158(8)
O4W H4A O13B 2_565 0.83(3) 1.88(3) 2.680(5) 162(7)
O4W H4B O14B 1_545 0.83(3) 2.10(4) 2.850(5) 151(7)
O5W H5A O2W 2_666 0.87(3) 1.84(3) 2.710(8) 175(8)
O5W H5B O24T 2_665 0.84(3) 2.26(5) 2.972(6) 142(7)
O6W H6A O5C 1_545 0.97 1.81 2.755(5) 162.7
O6W H6B O10B 2_666 0.97 2.04 2.755(5) 129.0
O7W H7A O7B 2_566 0.85(3) 2.07(4) 2.891(5) 163(8)
O7W H7B O6C 2_666 0.84(3) 2.27(6) 2.885(5) 130(6)
O8W H8A O5W 2_666 0.86(3) 1.98(5) 2.795(7) 159(10)
O8W H8B O19B 1_556 0.86(3) 2.22(4) 3.031(6) 156(8)

_cod_database_fobs_code 2240744
