Isopolyoxometalates derived from arylstibonic acids with "reverse-Keggin ion" structures based on [M(RSb)(12)O(28)] cores, M = Co(ii) or Zn(ii).
Nicholson, Brian K.; Clark, Christopher J.; Telfer, Shane G.; Groutso, Tania; Dalton transactions (Cambridge, England : 2003) 41 (2012) 9964–9970; doi:10.1039/c2dt30341h

data_7019737
_publ_section_title
;
 Isopolyoxometalates derived from arylstibonic acids with
 &quot;reverse-Keggin ion&quot; structures based on [M(RSb)(12)O(28)]
 cores, M = Co(ii) or Zn(ii).
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9964
_journal_page_last               9970
_journal_paper_doi               10.1039/c2dt30341h
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C84 H88 Ba Co O28 Sb12, 5(H2 O)'
_chemical_formula_sum            'C84 H98 Ba Co O33 Sb12'
_chemical_formula_weight         3292.89
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00(3)
_cell_angle_beta                 91.69(3)
_cell_angle_gamma                90.00(3)
_cell_formula_units_Z            4
_cell_length_a                   16.782(3)
_cell_length_b                   26.290(5)
_cell_length_c                   29.175(6)
_cell_measurement_reflns_used    18442
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      71.23
_cell_measurement_theta_min      6.75
_cell_volume                     12866(4)
_computing_cell_refinement       'FSProcess in Process-Auto (Rigaku, 1998)'
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        'FSProcess in Process-Auto (Rigaku, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Rigaku Spider'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  'Rigaku VariMax-HF Confocal Optical System'
_diffrn_radiation_source         'Rigaku MM007 rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.1827
_diffrn_reflns_av_sigmaI/netI    0.2162
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            123841
_diffrn_reflns_theta_full        72.12
_diffrn_reflns_theta_max         72.12
_diffrn_reflns_theta_min         6.74
_exptl_absorpt_coefficient_mu    23.443
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.30
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             6244
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.01
_platon_squeeze_details
;
;
_refine_diff_density_max         0.992
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         23872
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.2601
_refine_ls_R_factor_gt           0.1278
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1303P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3147
_refine_ls_wR_factor_ref         0.3666
_reflns_number_gt                6843
_reflns_number_total             23872
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30341h.txt
_cod_data_source_block           btmam_sq
_cod_original_sg_symbol_H-M      'P 2(1)/n'
_cod_database_code               7019737