Bis(μ-chloroacetato-κ^2^<i>O</i>:<i>O</i>')bis(chloroacetato-κ<i>O</i>)di-μ~3~-oxido-tetrakis[dibenzyltin(IV)]
Li, Jing; Yin, Handong; Wang, Daqi; Acta Crystallographica Section E 67 (2011) m147–; doi:10.1107/S1600536810054000

data_2229205
_publ_section_title
;
 Bis(\m-chloroacetato-\k^2^<i>O</i>:<i>O</i>')bis(chloroacetato-\k<i>O</i>)di-\m~3~-oxido-tetrakis[dibenzyltin(IV)]
;
_journal_coeditor_code           RZ2532
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m147
_journal_paper_doi               10.1107/S1600536810054000
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn4 (C7 H7)8 (C2 H2 Cl O2)4 O2]'
_chemical_formula_moiety         'C64 H64 Cl4 O10 Sn4'
_chemical_formula_sum            'C64 H64 Cl4 O10 Sn4'
_chemical_formula_weight         1609.71
_chemical_name_systematic
;
Bis(\m-chloroacetato-\k^2^<i>O</i>:<i>O</i>')bis(chloroacetato-
\k<i>O</i>)di-\m~3~-oxido-tetrakis[dibenzyltin(IV)]
;
_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                104.920(2)
_cell_angle_beta                 103.2080(10)
_cell_angle_gamma                106.4980(10)
_cell_formula_units_Z            1
_cell_length_a                   10.4377(8)
_cell_length_b                   13.0091(9)
_cell_length_c                   13.3920(11)
_cell_measurement_reflns_used    3277
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.311
_cell_measurement_theta_min      2.793
_cell_volume                     1593.0(2)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_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 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'phi and omega 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  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0576
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8386
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    1.774
_exptl_absorpt_correction_T_max  0.8711
_exptl_absorpt_correction_T_min  0.7181
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.812
_refine_diff_density_min         -0.592
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5551
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0308
_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^)+(0.0103P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0498
_refine_ls_wR_factor_ref         0.0541
_reflns_number_gt                4110
_reflns_number_total             5551
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            rz2532.cif
_cod_data_source_block           I
_cod_database_code               2229205
_cod_database_fobs_code          2229205