Monopotassium monosodium hexahydrogen α-hexamolybdoplatinate(IV) undecahydrate
Lee, Uk; Joo, Hea-Chung; Acta Crystallographica Section E 66 (2010) i8–i9; doi:10.1107/S160053681000228X

data_2225136
_publ_section_title
;
 Monopotassium monosodium hexahydrogen \a-hexamolybdoplatinate(IV)
 undecahydrate
;
_journal_coeditor_code           WM2298
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i8
_journal_page_last               i9
_journal_paper_doi               10.1107/S160053681000228X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'K Na [H6 Pt Mo6 O24], 11H2 O'
_chemical_formula_structural     'K Na, (H6 Pt Mo6 O24 6-), 11(H2 O)'
_chemical_formula_sum            'H28 K Mo6 Na O35 Pt'
_chemical_formula_weight         1421.04
_chemical_name_systematic
;
Monopotassium monosodium hexahydrogen \a-hexamolybdoplatinate(IV)
undecahydrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.30(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.935(2)
_cell_length_b                   18.535(3)
_cell_length_c                   17.775(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      10.3
_cell_measurement_theta_min      9.6
_cell_volume                     6286.2(19)
_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 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Stoe Stadi-4'
_diffrn_measurement_method       '\w/2--\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0325
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -2
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8235
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.53
_diffrn_standards_decay_%        3.2
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.015
_exptl_absorpt_correction_T_max  0.4224
_exptl_absorpt_correction_T_min  0.2995
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE; Stoe & Cie 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    3.003
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5344
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.962
_refine_diff_density_min         -1.256
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         7237
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0282P)^2^+43.9139P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0726
_refine_ls_wR_factor_ref         0.0819
_reflns_number_gt                5972
_reflns_number_total             7237
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2298.cif
_cod_data_source_block           I
_cod_original_cell_volume        6286.2(18)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2225136
_cod_database_fobs_code          2225136