Octasodium hexatungstoplatinate(IV) hexaicosahydrate, Na~8~[PtW~6~O~24~]·26H~2~O
Lee, Uk; Joo, Hea-Chung; Acta Crystallographica Section E 60 (2004) i86–i88; doi:10.1107/S1600536804014618

data_2203919
_publ_section_title
;
 Octasodium hexatungstoplatinate(IV) hexaicosahydrate,
 Na~8~[PtW~6~O~24~]&#x00B7;26H~2~O
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i86
_journal_page_last               i88
_journal_paper_doi               10.1107/S1600536804014618
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          'Na8 [Pt W6 O24], 26H2 O'
_chemical_formula_moiety         '(Na 1+)8, O24 Pt W6 8-, 26(H2 O)'
_chemical_formula_structural     'Na8 (Pt W6 O24) (H2 O)26'
_chemical_formula_sum            'H52 Na8 O50 Pt W6'
_chemical_formula_weight         2334.53
_chemical_name_common
'octasodium hexatungstoplatinate(IV) hexaicosahydrate'
_chemical_name_systematic
'octasodium hexatungstoplatinate(IV) hexaicosahydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0
_cell_angle_beta                 93.560(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   10.8730(10)
_cell_length_b                   11.7850(10)
_cell_length_c                   18.1160(10)
_cell_measurement_reflns_used    39
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      16.2
_cell_measurement_theta_min      9.6
_cell_volume                     2316.9(3)
_computing_cell_refinement       STADI4
_computing_data_collection       'STADI4 (Stoe, 1996)'
_computing_data_reduction        'X-RED (Stoe, 1996)'
_computing_molecular_graphics
'ORTEP-3 (Version 1.07; Farrugia, 1997) and DIAMOND (Brandenburg, 1998)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Stoe Stadi-4'
_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    0.0566
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5299
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        4.3
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    18.040
_exptl_absorpt_correction_T_max  0.1139
_exptl_absorpt_correction_T_min  0.0339
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE; Stoe & Cie, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    3.346
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2124
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.792
_refine_diff_density_min         -2.250
_refine_ls_extinction_coef       0.00172(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.668
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         5299
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.668
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0512
_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/[\s^2^(Fo^2^)] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0763
_refine_ls_wR_factor_ref         0.0816
_reflns_number_gt                4017
_reflns_number_total             5299
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            mg6028.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2203919
_cod_database_fobs_code          2203919