A route to a Keggin-Type α-[(XIIIO4)Mo12O35(OH)]4− anion through an Anderson-type [XIII(OH)6Mo6O18]3− anion: X = Ga
Himeno, Sadayuki; Murata, Satomi; Eda, Kazuo; Dalton Transactions  (2009) 6114–; doi:10.1039/b902794g

data_7001765
_publ_section_title
;
 A route to a Keggin-Type \a-[(XIIIO4)Mo12O35(OH)]4&#x2212; anion
 through an Anderson-type [XIII(OH)6Mo6O18]3&#x2212; anion: X = Ga
;
_journal_issue                   31
_journal_name_full               'Dalton Transactions'
_journal_page_first              6114
_journal_paper_doi               10.1039/b902794g
_journal_year                    2009
_chemical_formula_moiety         'Ga Mo6 O24, 7(O), 3(K)'
_chemical_formula_sum            'Ga K3 Mo6 O31'
_chemical_formula_weight         1258.66
_chemical_name_systematic
;
?
;
_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_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.749(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.371(3)
_cell_length_b                   11.2950(13)
_cell_length_c                   11.4347(13)
_cell_measurement_reflns_used    9872
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.266
_cell_measurement_theta_min      2.539
_cell_volume                     2879.4(6)
_computing_cell_refinement       'Bruker AXS SAINT'
_computing_data_collection       'Bruker AXS SAINT'
_computing_data_reduction        'Bruker AXS SAINT'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.885
_diffrn_measured_fraction_theta_max 0.885
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15276
_diffrn_reflns_theta_full        27.27
_diffrn_reflns_theta_max         27.27
_diffrn_reflns_theta_min         0.91
_exptl_absorpt_coefficient_mu    3.996
_exptl_absorpt_correction_T_max  0.8565
_exptl_absorpt_correction_T_min  0.4600
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'program SADABS ver. 2.03(Sheldrick)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.904
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.044
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         5727
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.163
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+42.7053P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0907
_reflns_number_gt                5227
_reflns_number_total             5727
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b902794g.txt
_cod_data_source_block           4mur
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7001765