Hexakis(<i>tert</i>-butylammonium) heptamolybdate(VI)–water (1/7)
Román, P.; José, A. S.; Luque, A.; Gutiérrez-Zorrilla, J. M.; Acta Crystallographica Section C 50 (1994) 1031–1034; doi:10.1107/S0108270193012831

data_2009880
_publ_section_title
;
 Hexakis(<i>tert</i>-butylammonium) heptamolybdate(VI)--water (1/7)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1031
_journal_page_last               1034
_journal_paper_doi               10.1107/S0108270193012831
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         '6(C4 H12 N1),Mo7 O24,7(H2 O1)'
_chemical_formula_sum            'C24 H86 Mo7 N6 O31'
_chemical_formula_weight         1626.55
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 102.33(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.023(9)
_cell_length_b                   23.232(6)
_cell_length_c                   18.212(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      8
_cell_volume                     5796(5)
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10091
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.51
_exptl_absorpt_correction_T_max  1.39
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   'refdelf (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.864
_exptl_crystal_density_meas      1.850(10)
_exptl_crystal_density_method    'flotation in a CHBr~3~/CCl~4~ mixture'
_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         0.64
_refine_diff_density_min         -0.75
_refine_ls_extinction_method     'not applied'
_refine_ls_goodness_of_fit_obs   0.33
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     614
_refine_ls_number_reflns         8698
_refine_ls_R_factor_obs          0.037
_refine_ls_shift/esd_max         0.837
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'weight: see text'
_refine_ls_wR_factor_obs         0.040
_reflns_number_observed          8698
_reflns_number_total             10091
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1070.cif
_cod_data_source_block           mu1070_structure_1_of_1
_cod_original_cell_volume        5796(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2009880