Arylstibonic acids [H8(RSb)12O28]; precursors to organometallic isopolyoxostibonates [Na2H9(RSb)12O(30)]-, (R = aryl).
Clark, Christopher J; Nicholson, Brian K; Wright, Cody E; Chemical communications (Cambridge, England) 34 (2009) 923–925; doi:10.1039/b816113e

data_7104184
_publ_section_title
;
 Arylstibonic acids [H8(RSb)12O28]; precursors to organometallic
 isopolyoxostibonates [Na2H9(RSb)12O(30)]-, (R = aryl).
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              923
_journal_page_last               925
_journal_paper_doi               10.1039/b816113e
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C72 H65 N12 Na2 O58 Sb12, C10 H16 N'
_chemical_formula_sum            'C82 H81 N13 Na2 O58 Sb12'
_chemical_formula_weight         3683.58
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 122.5690(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.6262(6)
_cell_length_b                   22.5295(4)
_cell_length_c                   25.1789(8)
_cell_measurement_reflns_used    9041
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      54
_cell_measurement_theta_min      2
_cell_volume                     14641.2(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_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  0.0830
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            165946
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.20
_exptl_absorpt_coefficient_mu    2.262
_exptl_absorpt_correction_T_max  0.7424
_exptl_absorpt_correction_T_min  0.5406
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             7048
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_platon_squeeze_details
;
;
_refine_diff_density_max         2.282
_refine_diff_density_min         -1.597
_refine_diff_density_rms         0.201
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     704
_refine_ls_number_reflns         16399
_refine_ls_number_restraints     627
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.0921
_refine_ls_R_factor_gt           0.0620
_refine_ls_shift/su_max          0.123
_refine_ls_shift/su_mean         0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1077P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1780
_refine_ls_wR_factor_ref         0.1917
_reflns_number_gt                11131
_reflns_number_total             16399
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b816113e.txt
_cod_data_source_block           ccbm_squeeze
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7104184