(μ-2,3-Dibromosuccinato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis[methanolato-κ<i>O</i>)triphenylantimony(V)]
Quan, Li; Yin, Handong; Fu, Wenfu; Acta Crystallographica Section E 67 (2011) m713–; doi:10.1107/S1600536811016114

data_2230385
_publ_section_title
;
 (\m-2,3-Dibromosuccinato-\k^2^<i>O</i>^1^:<i>O</i>^4^)bis[methanolato-\k<i>O</i>)triphenylantimony(V)]
;
_journal_coeditor_code           JH2282
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m713
_journal_paper_doi               10.1107/S1600536811016114
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sb2 (C6 H5)6 (C4 H2 Br2 O4) (C H3 O)2]'
_chemical_formula_moiety         'C42 H38 Br2 O6 Sb2'
_chemical_formula_sum            'C42 H38 Br2 O6 Sb2'
_chemical_formula_weight         1042.04
_chemical_name_systematic
;
(\m-2,3-Dibromosuccinato-\k^2^<i>O</i>^1^:<i>O</i>^4^)bis[methanolato-
\k<i>O</i>)triphenylantimony(V)]
;
_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                103.74(2)
_cell_angle_beta                 97.93(2)
_cell_angle_gamma                100.45(2)
_cell_formula_units_Z            1
_cell_length_a                   8.707(8)
_cell_length_b                   9.872(8)
_cell_length_c                   12.779(10)
_cell_measurement_reflns_used    1605
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.234
_cell_measurement_theta_min      2.372
_cell_volume                     1030.3(15)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0681
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            5379
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    3.294
_exptl_absorpt_correction_T_max  0.6740
_exptl_absorpt_correction_T_min  0.5310
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             510
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.102
_refine_diff_density_min         -0.682
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         3582
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0756
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0705P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1130
_refine_ls_wR_factor_ref         0.1307
_reflns_number_gt                2582
_reflns_number_total             3582
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jh2282.cif
_cod_data_source_block           I
_cod_database_code               2230385
_cod_database_fobs_code          2230385