Hemiheptapotassium heminonahydrogen α-hexamolybdoplatinate(IV) 5.5-hydrate
Lee, Uk; Joo, Hea-Chung; Acta Crystallographica Section E 63 (2007) i11–i13; doi:10.1107/S1600536806054055

data_2211820
_publ_section_title
;
 Hemiheptapotassium heminonahydrogen \a-hexamolybdoplatinate(IV)
 5.5-hydrate
;
_journal_coeditor_code           HB2204
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i11
_journal_page_last               i13
_journal_paper_doi               10.1107/S1600536806054055
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'K3.5 [H4.5 Pt Mo6 O24] , 5.5H2 O'
_chemical_formula_moiety         '3.5K + , H4.5 Pt Mo6 O24 3.5- , 5.5H2 O'
_chemical_formula_sum            'H15.5 K3.5 Mo6 O29.5 Pt'
_chemical_formula_weight         1395.20
_chemical_name_systematic
;
Hemiheptapotassiumheminonahydrogen \a-hexamolybdoplatinate(IV)
5.5-hydrate
;
_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
_audit_creation_method           SHELXL97
_cell_angle_alpha                68.720(10)
_cell_angle_beta                 69.33(2)
_cell_angle_gamma                83.634(8)
_cell_formula_units_Z            2
_cell_length_a                   10.104(2)
_cell_length_b                   12.214(2)
_cell_length_c                   12.419(2)
_cell_measurement_reflns_used    27
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      10.3
_cell_measurement_theta_min      9.7
_cell_volume                     1335.9(5)
_computing_cell_refinement       'X-RED (Stoe & Cie, 1996)'
_computing_data_collection       'STADI4 (Stoe & Cie, 1996)'
_computing_data_reduction        X-RED
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Stoe STADI4'
_diffrn_measurement_method       \w/2\q
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6100
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.79
_diffrn_standards_decay_%        3.2
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.600
_exptl_absorpt_correction_T_max  0.404
_exptl_absorpt_correction_T_min  0.282
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE; Stoe & Cie, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    3.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.610
_refine_diff_density_min         -2.473
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         6100
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0435
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0558P)^2^+7.7029P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1160
_reflns_number_gt                5081
_reflns_number_total             6100
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2204.cif
_cod_data_source_block           I
_cod_original_formula_sum        'H15.50 K3.50 Mo6 O29.50 Pt'
_cod_database_code               2211820
_cod_database_fobs_code          2211820