Tetra-Antimony(III)-Bridged 18-Tungsto-2-Arsenates(V), [(LSb(III))4(A-α-As(V)W9O34)2](10-) (L = Ph, OH): Turning Bioactivity On and Off by Ligand Substitution.
Yang, Peng; Lin, Zhengguo; Bassil, Bassem S.; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Li, Ming-Xing; Silvestru, Cristian; Kortz, Ulrich; Inorganic chemistry 55 (2016) 3718–3720; doi:10.1021/acs.inorgchem.6b00107

data_4347391
_publ_section_title
;
 Tetra-Antimony(III)-Bridged 18-Tungsto-2-Arsenates(V),
 [(LSb(III))4(A-\a-As(V)W9O34)2](10-) (L = Ph, OH): Turning Bioactivity On
 and Off by Ligand Substitution.
;
_journal_issue                   8
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3718
_journal_page_last               3720
_journal_paper_doi               10.1021/acs.inorgchem.6b00107
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'As2 H64 Na0.75 O102 Rb9.25 Sb4 W18'
_chemical_formula_weight         6450.49
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 102.982(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.5851(15)
_cell_length_b                   18.547(3)
_cell_length_c                   17.660(3)
_cell_measurement_reflns_used    8731
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.37
_cell_measurement_theta_min      3.14
_cell_volume                     4016.8(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0676
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            202065
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         3.447
_exptl_absorpt_coefficient_mu    33.514
_exptl_absorpt_correction_T_max  0.554
_exptl_absorpt_correction_T_min  0.488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.333
_exptl_crystal_description       block
_exptl_crystal_F_000             5665
_exptl_crystal_size_max          0.025
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_exptl_transmission_factor_max   0.554
_exptl_transmission_factor_min   0.488
_refine_diff_density_max         4.589
_refine_diff_density_min         -2.977
_refine_diff_density_rms         0.316
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         9930
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0277
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+63.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0885
_refine_ls_wR_factor_ref         0.0907
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9268
_reflns_number_total             9930
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b00107_si_002.cif
_cod_data_source_block           lzg
_cod_original_cell_volume        4016.8(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4347391
_shelx_estimated_absorpt_t_min   0.488
_shelx_estimated_absorpt_t_max   0.554
_shelxl_version_number           2013-4
_shelx_res_checksum              77679
_shelx_hkl_checksum              99842