Dipotassium hexahydrogen-α-hexamolybdoplatinate(IV) pentahydrate, K~2~[H~6~α-PtMo~6~O~24~].5H~2~O
Lee, U.; Acta Crystallographica Section C 50 (1994) 1657–1659; doi:10.1107/S0108270194001484

data_2010128
_publ_section_title
;
 Dipotassium hexahydrogen-\a-hexamolybdoplatinate(IV) pentahydrate,
 K~2~[H~6~\a-PtMo~6~O~24~].5H~2~O
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1657
_journal_page_last               1659
_journal_paper_doi               10.1107/S0108270194001484
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'H6 K2 Mo6 O24 Pt1,5H2 O1'
_chemical_formula_sum            'H16 K2 Mo6 O29 Pt'
_chemical_formula_weight         1329.04
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 105.79(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   21.100(7)
_cell_length_b                   12.922(3)
_cell_length_c                   10.067(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      20.0
_cell_volume                     2641.2(14)
_diffrn_measurement_device       'Rigaku four-circle'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0072
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4105
_diffrn_reflns_theta_max         30.0
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.42
_exptl_absorpt_correction_T_max  0.621
_exptl_absorpt_correction_T_min  0.246
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            'lemon yellow'
_exptl_crystal_density_diffrn    3.343
_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         4.0
_refine_diff_density_min         -3.0
_refine_ls_goodness_of_fit_obs   3.26
_refine_ls_number_parameters     191
_refine_ls_number_reflns         2372
_refine_ls_R_factor_obs          0.055
_refine_ls_shift/esd_max         0.42
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~) + 0.0004F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.055
_reflns_number_observed          2372
_reflns_number_total             3513
_reflns_observed_criterion       F~o~>3.0\s(F~o~)
_cod_data_source_file            ab1113.cif
_cod_data_source_block           ab1113_structure_1_of_1
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-03

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F~o~) +
0.0004F~o~^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(F~o~) + 0.0004F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2641(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'H16 K2 Mo6 O29 Pt1'
_cod_database_code               2010128