Trapping {BW(12)}(2) tungstoborate: synthesis and crystal structure of hybrid [{(H(2)BW(12)O(42))(2)O}{Mo(6)O(6)S(6)(OH)(4)(H(2)O)(2)}](14-) anion.
Korenev, V. S.; Abramov, P. A.; Vicent, C.; Mainichev, D. A.; Floquet, S.; Cadot, E.; Sokolov, M. N.; Fedin, V. P.; Dalton transactions (Cambridge, England : 2003) 41 (2012) 14484–14486; doi:10.1039/c2dt31512b

data_7020417
_publ_section_title
;
 Trapping {BW(12)}(2) tungstoborate: synthesis and crystal structure of
 hybrid [{(H(2)BW(12)O(42))(2)O}{Mo(6)O(6)S(6)(OH)(4)(H(2)O)(2)}](14-)
 anion.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14484
_journal_page_last               14486
_journal_paper_doi               10.1039/c2dt31512b
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C20.6 H147 B2 Mo6 N10.3 O121.45 S6 W24'
_chemical_formula_weight         7685.11
_chemical_name_systematic
;
?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.6380(10)
_cell_angle_beta                 84.6060(10)
_cell_angle_gamma                85.9980(10)
_cell_formula_units_Z            2
_cell_length_a                   16.8821(6)
_cell_length_b                   21.1874(10)
_cell_length_c                   21.4856(10)
_cell_measurement_reflns_used    9761
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.69
_cell_measurement_theta_min      2.87
_cell_volume                     7603.2(6)
_computing_cell_refinement       'SAINT (Bruker-AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker-AXS, 2004)'
_computing_data_reduction        'SAINT (Bruker-AXS, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker-AXS, 2004)'
_computing_publication_material  'CIFTAB-97 (Sheldrick, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1998)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1998)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD'
_diffrn_measurement_method       '\f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0611
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            63340
_diffrn_reflns_theta_full        28.72
_diffrn_reflns_theta_max         28.72
_diffrn_reflns_theta_min         0.97
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    18.731
_exptl_absorpt_correction_T_max  0.1945
_exptl_absorpt_correction_T_min  0.1335
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS, 2004)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    3.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6897
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         7.162
_refine_diff_density_min         -5.656
_refine_diff_density_rms         0.400
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1797
_refine_ls_number_reflns         38102
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0500
_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^+380.7574P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1089
_refine_ls_wR_factor_ref         0.1218
_reflns_number_gt                29300
_reflns_number_total             38102
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c2dt31512b.txt
_cod_data_source_block           wk118dma
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C20.60 H147 B2 Mo6 N10.30 O121.45 S6 W24'
_cod_database_code               7020417