Potassium bis(μ-sulfato-1κ<i>O</i>:2κ<i>O</i>')bis[<i>cis</i>-dioxido-<i>cis</i>-bis(sulfato-κ<i>O</i>)tungstate(VI)]
Susan J. Cline Schäffer; Rolf W. Berg; Acta Crystallographica Section E 61 (2005) i49–i51; doi:10.1107/S1600536805007579

data_2205610
_publ_section_title
;Potassium
 bis(\m-sulfato-1\k<i>O</i>:2\k<i>O</i>')bis[<i>cis</i>-dioxido-<i>cis</i>-bis(sulfato-\k<i>O</i>)tungstate(VI)]
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i49
_journal_page_last               i51
_journal_paper_doi               10.1107/S1600536805007579
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'K8 [W O4 (S O4)6]'
_chemical_formula_moiety         '8K +, O28 S6 W2 8-'
_chemical_formula_sum            'K8 O28 S6 W2'
_chemical_formula_weight         1320.86
_chemical_name_systematic
;
Octapotassium
di-\m-sulfato-\k^2^O:O'-bis[cis-dioxo-cis-disulfatotungstate(VI)]
;
_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_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.7800(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4362(5)
_cell_length_b                   13.9625(7)
_cell_length_c                   10.1948(5)
_cell_measurement_reflns_used    5682
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.5
_cell_volume                     1343.07(12)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'CIFTAB in SHELX-97-2 (Sheldrick, 2001)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2002)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'Bruker Platform/CCD'
_diffrn_measurement_method       'profile data from \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0190
_diffrn_reflns_av_sigmaI/netI    0.0136
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13095
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         2.47
_diffrn_standards_decay_%        0.4
_diffrn_standards_interval_time  345
_diffrn_standards_number         242
_exptl_absorpt_coefficient_mu    10.380
_exptl_absorpt_correction_T_max  0.6187
_exptl_absorpt_correction_T_min  0.2449
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'XPREP (Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.266
_exptl_crystal_density_meas      ?
_exptl_crystal_description       tabular
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.576
_refine_diff_density_min         -0.439
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2458
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0136
_refine_ls_R_factor_gt           0.0132
_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^)+(0.0121P)^2^+2.1788P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0309
_refine_ls_wR_factor_ref         0.0311
_reflns_number_gt                2429
_reflns_number_total             2458
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm6051.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2205610
_cod_database_fobs_code          2205610