A novel protonated hexatungstoplatinate(IV), Na~5.5~[H~2.5~PtW~6~O~24~]·17H~2~O
Lee, Uk; Joo, Hea-Chung; Acta Crystallographica Section E 60 (2004) i33–i36; doi:10.1107/S1600536804002302

data_2203356
_publ_section_title
;
 A novel protonated hexatungstoplatinate(IV),
 Na~5.5~[H~2.5~PtW~6~O~24~]&#x00B7;17H~2~O
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i33
_journal_page_last               i36
_journal_paper_doi               10.1107/S1600536804002302
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          'Na5.5 [H2.5 Pt W6 O24] (H2 O)17]'
_chemical_formula_moiety         '5.5 Na 1+, H2.5 O24 Pt W6 5.5-, 17H2 O'
_chemical_formula_structural     'Na5.5 [H2.5 Pt W6 O24] (H2 O)17]'
_chemical_formula_sum            'H36.5 Na5.5 O41 Pt W6'
_chemical_formula_weight         2117.43
_chemical_name_systematic
;
 ?
;
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.50(3)
_cell_angle_beta                 105.13(3)
_cell_angle_gamma                97.43(3)
_cell_formula_units_Z            2
_cell_length_a                   10.736(2)
_cell_length_b                   12.803(3)
_cell_length_c                   14.877(3)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      10.5
_cell_measurement_theta_min      9.5
_cell_volume                     1858.1(9)
_computing_cell_refinement       STADI4
_computing_data_collection       'STADI4 (Stoe & Coe, 1996)'
_computing_data_reduction        'X-RED (STOE, 1996)'
_computing_molecular_graphics
'ORTEP-3 (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    0.0297
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8526
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        3.5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    22.430
_exptl_absorpt_correction_T_max  0.0097
_exptl_absorpt_correction_T_min  0.0049
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE; Stoe & Cie, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    3.785
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       triclinic
_exptl_crystal_F_000             1967
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.890
_refine_diff_density_min         -2.380
_refine_ls_extinction_coef       0.00196(5)
_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   1.132
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         8526
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          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^)+(0.0420P)^2^+22.4365P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0979
_reflns_number_gt                7210
_reflns_number_total             8526
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm6009.cif
_cod_data_source_block           I
_cod_original_formula_sum        'H36.50 Na5.50 O41 Pt W6'
_cod_database_code               2203356
_cod_database_fobs_code          2203356