A C(2)-symmetric antimonato polyoxovanadate cluster [V(16)Sb(4)O(42)(H(2)O)](8-) derived from the {V(18)O(42)} archetype.
Antonova, Elena; Näther, Christian; Kögerler, Paul; Bensch, Wolfgang; Dalton transactions (Cambridge, England : 2003) 41 (2012) 6957–6962; doi:10.1039/c2dt30319a

data_7019408
_publ_section_title
;
 A C(2)-symmetric antimonato polyoxovanadate cluster
 [V(16)Sb(4)O(42)(H(2)O)](8-) derived from the {V(18)O(42)} archetype.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6957
_journal_page_last               6962
_journal_paper_doi               10.1039/c2dt30319a
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'O42 Sb4 V16, 2(C12 H38 N8 Zn), 7(H2O)'
_chemical_formula_sum            'C24 H90 N16 O49 Sb4 V16 Zn2'
_chemical_formula_weight         2819.90
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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
_cell_angle_beta                 128.076(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.7070(19)
_cell_length_b                   13.9512(5)
_cell_length_c                   23.1435(14)
_cell_measurement_reflns_used    36771
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.03
_cell_measurement_theta_min      2.51
_cell_volume                     7804.8(10)
_computing_cell_refinement       'STOE-IPDS Program Package'
_computing_data_collection       'STOE-IPDS Program Package'
_computing_data_reduction        'STOE-IPDS Program Package'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Stoe Imaging Plate Diffraction System'
_diffrn_measurement_method       '\f 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  0.0698
_diffrn_reflns_av_sigmaI/netI    0.0534
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            36771
_diffrn_reflns_theta_full        28.03
_diffrn_reflns_theta_max         28.03
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    3.877
_exptl_absorpt_correction_T_max  0.5729
_exptl_absorpt_correction_T_min  0.5302
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Shape (STOE & CIE, 1998)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5480
_exptl_crystal_size_max          0.1056
_exptl_crystal_size_mid          0.0910
_exptl_crystal_size_min          0.0801
_refine_diff_density_max         0.831
_refine_diff_density_min         -1.015
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         9130
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0427
_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^)+(0.0367P)^2^+75.5622P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                6726
_reflns_number_total             9130
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30319a.txt
_cod_data_source_block           ea669r
_cod_original_cell_volume        7804.8(7)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7019408