Crystal structure of μ-oxalato-κ<sup>2</sup><i>O</i><sup>1</sup>:<i>O</i><sup>2</sup>-bis-[(dimethyl sulfoxide-κ<i>O</i>)tri-phenyl-tin(IV)].
Pouye, Serigne Fallou; Cisse, Ibrahima; Diop, Libasse; Dolmella, Alessandro; Bernès, Sylvain; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1033–1036; doi:10.1107/S2056989017008519

data_2311391
_publ_section_title
;
 Crystal structure of
 \m-oxalato-\k<sup>2</sup><i>O</i><sup>1</sup>:<i>O</i><sup>2</sup>-bis-[(dimethyl
 sulfoxide-\k<i>O</i>)tri-phenyl-tin(IV)].
;
_journal_coeditor_code           IM2477
_journal_issue                   'Pt 7'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1033
_journal_page_last               1036
_journal_paper_doi               10.1107/S2056989017008519
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Sn2 (C6 H5)6 (C2 O4) (C2 H6 O S)2]'
_chemical_formula_moiety         'C42 H42 O6 S2 Sn2'
_chemical_formula_sum            'C42 H42 O6 S2 Sn2'
_chemical_formula_weight         944.25
_chemical_name_systematic
;
\m-Oxalato-\k^2^<i>O</i>^1^:<i>O</i>^2^-bis[triphenyl(dimethyl
sulfoxide-\k<i>O</i>)tin(IV)]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 111.213(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.4638(14)
_cell_length_b                   16.2069(10)
_cell_length_c                   17.6205(15)
_cell_measurement_reflns_used    5828
_cell_measurement_temperature    297.0(10)
_cell_measurement_theta_max      25.5060
_cell_measurement_theta_min      3.5060
_cell_volume                     4116.8(6)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2013)
;
_computing_molecular_graphics
;
XP in SHELXTL (Sheldrick, 2008) and Mercury (Macrae <i>et al.</i>,
2008)
;
_computing_publication_material
;
SHELXL2016 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      297.0(10)
_diffrn_detector_area_resol_mean 10.5564
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Agilent Xcalibur Atlas Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0640
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27591
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.573
_diffrn_reflns_theta_min         3.011
_exptl_absorpt_coefficient_mu    1.359
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.955
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2013)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_description       block
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.1861
_exptl_crystal_size_mid          0.1748
_exptl_crystal_size_min          0.1080
_refine_diff_density_max         0.503
_refine_diff_density_min         -0.530
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     383
_refine_ls_number_reflns         5762
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0254P)^2^+2.4676P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0902
_reflns_number_gt                3476
_reflns_number_total             5762
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            im2477sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2311391
_shelx_hkl_checksum              91393
_shelx_res_checksum              86188