[Al(H~2~O)~6~][Cr(OH)~6~Mo~6~O~18~]·10H~2~O
Li, Bao; Ye, Ling; Wu, Li-Xin; Acta Crystallographica Section E 67 (2011) i8–; doi:10.1107/S1600536810053936

data_2229259
_publ_section_title
;
 [Al(H~2~O)~6~][Cr(OH)~6~Mo~6~O~18~]&#x00B7;10H~2~O
;
_journal_coeditor_code           WM2434
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i8
_journal_paper_doi               10.1107/S1600536810053936
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Al(H2 O)6] [Cr (O H)6 Mo6 O18], 10H2 O'
_chemical_formula_moiety         'Al H12 O6 3+, Cr H6 Mo6 O24 3-, 10(H2 O) '
_chemical_formula_structural     '[Al(H2 O)6] [Cr (O H)6 Mo6 O18] 10(H2 O)'
_chemical_formula_sum            'Al Cr H38 Mo6 O40'
_chemical_formula_weight         1332.92
_chemical_name_systematic
;
hexaaquaaluminium hexahydroxidooctadecaoxidomolybdochromate(III) decahydrate,
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                101.26(3)
_cell_angle_beta                 97.02(3)
_cell_angle_gamma                101.81(3)
_cell_formula_units_Z            1
_cell_length_a                   6.809(5)
_cell_length_b                   11.267(7)
_cell_length_c                   11.596(9)
_cell_measurement_reflns_used    7543
_cell_measurement_temperature    290(2)
_cell_measurement_theta_max      27.06
_cell_measurement_theta_min      3.24
_cell_volume                     841.7(11)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      290(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_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  0.0368
_diffrn_reflns_av_sigmaI/netI    0.0510
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8257
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.23
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.629
_exptl_absorpt_correction_T_max  0.7698
_exptl_absorpt_correction_T_min  0.7449
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             647
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.887
_refine_diff_density_min         -0.856
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         3801
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0331P)^2^+2.7190P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.0929
_reflns_number_gt                3346
_reflns_number_total             3801
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2434.cif
_cod_data_source_block           I
_cod_original_cell_volume        841.7(10)
_cod_database_code               2229259
_cod_database_fobs_code          2229259