Tetrakis(isopropylammonium) β-octamolybdate(VI)
Gutiérrez-Zorrilla, J.M.; Yamase, T.; Sugeta, M.; Acta Crystallographica Section C 50 (1994) 196–198; doi:10.1107/S0108270193007371

data_2009486
_publ_section_title
;
 Tetrakis(isopropylammonium) \b-octamolybdate(VI)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              196
_journal_page_last               198
_journal_paper_doi               10.1107/S0108270193007371
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C12 H40 Mo8 N4 O26'
_chemical_formula_weight         1423.979
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 116.530(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.096(2)
_cell_length_b                   17.308(3)
_cell_length_c                   10.526(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      12
_cell_measurement_theta_min      10
_cell_volume                     1808.6(6)
_diffrn_measurement_device       'Rigaku AFC-5S'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0082
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5691
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        none
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_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.71
_exptl_absorpt_correction_T_max  1.07
_exptl_absorpt_correction_T_min  0.93
_exptl_absorpt_correction_type   refdelf
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.615
_exptl_crystal_density_meas      2.630(10)
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.6449
_refine_diff_density_min         -1.1707
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   4.820
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4487
_refine_ls_R_factor_obs          0.0294
_refine_ls_shift/esd_max         0.025
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0329
_reflns_number_observed          4621
_reflns_number_total             5264
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            oh1037.cif
_cod_data_source_block           oh1037_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1808.5(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009486