μ-Oxido-bis[(chloroacetato-κ<i>O</i>)triphenylantimony(V)]
Li Quan; Handong Yin; Daqi Wang; Acta Crystallographica Section E 64 (2008) m349–m349; doi:10.1107/S1600536808000676

data_2217650
_publ_section_title
;
 \m-Oxido-bis[(chloroacetato-\k<i>O</i>)triphenylantimony(V)]
;
_journal_coeditor_code           SG2199
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m349
_journal_page_last               m349
_journal_paper_doi               10.1107/S1600536808000676
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Sb2 (C6 H5)6 (C2 H2 Cl1 O2)2 O]'
_chemical_formula_moiety         'C40 H34 Cl2 O5 Sb2'
_chemical_formula_sum            'C40 H34 Cl2 O5 Sb2'
_chemical_formula_weight         909.07
_chemical_name_systematic
;
\m-Oxido-bis[(chloroacetato-\kO)triphenylantimony(V)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 95.383(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.4950(12)
_cell_length_b                   19.416(2)
_cell_length_c                   9.2584(10)
_cell_measurement_reflns_used    3131
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.673
_cell_measurement_theta_min      2.121
_cell_volume                     1878.3(4)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       '\f and \w 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  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0441
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_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            8838
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    1.623
_exptl_absorpt_correction_T_max  0.8417
_exptl_absorpt_correction_T_min  0.5559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.136
_refine_diff_density_min         -1.073
_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     223
_refine_ls_number_reflns         3305
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_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0398
_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^)+(0.0489P)^2^+4.2337P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.1093
_reflns_number_gt                2465
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            sg2199.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2217650
_cod_database_fobs_code          2217650