(μ~3~-1,3,5-Benzenetricarboxylato)tris[triphenyltin(IV)] trichloromethane solvate
Tian, Lai-Jin; Yu, Feng-Yang; Sun, Yu-Xi; Ding, Yang-Jun; Acta Crystallographica Section E 62 (2006) m1203–m1204; doi:10.1107/S1600536806015728

data_2209183
_publ_section_title
;
 (\m~3~-1,3,5-Benzenetricarboxylato)tris[triphenyltin(IV)]
 trichloromethane solvate
;
_journal_coeditor_code           HB2045
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1203
_journal_page_last               m1204
_journal_paper_doi               10.1107/S1600536806015728
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn3 (C6 H5)9 (C9 H3 O6)], C H Cl3'
_chemical_formula_moiety         'C63 H48 O6 Sn3, C H Cl3'
_chemical_formula_sum            'C64 H49 Cl3 O6 Sn3'
_chemical_formula_weight         1376.45
_chemical_name_systematic
;
(\m~3~-1,3,5-Benzenetricarboxylato)tris[triphenyltin(IV)] trichloromethane
solvate
;
_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                112.456(5)
_cell_angle_beta                 104.944(8)
_cell_angle_gamma                90.641(6)
_cell_formula_units_Z            2
_cell_length_a                   13.092(4)
_cell_length_b                   13.990(5)
_cell_length_c                   18.207(8)
_cell_measurement_reflns_used    2157
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      17.98
_cell_measurement_theta_min      2.38
_cell_volume                     2955.1(19)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_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  0.0673
_diffrn_reflns_av_sigmaI/netI    0.1264
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24159
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.26
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.443
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.846
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1364
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.650
_refine_diff_density_min         -0.533
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         12063
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.1266
_refine_ls_R_factor_gt           0.0635
_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^)+(0.0333P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1151
_refine_ls_wR_factor_ref         0.1392
_reflns_number_gt                6615
_reflns_number_total             12063
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2045.cif
_cod_data_source_block           I
_cod_original_cell_volume        2955.1(18)
_cod_database_code               2209183
_cod_database_fobs_code          2209183