<i>trans</i>-Dichloridobis(dimethyl sulfoxide-κ<i>O</i>)bis(4-fluorobenzyl-κ<i>C</i>^1^)tin(IV): crystal structure and Hirshfeld surface analysis
Nur Adibah Binti Mohd Amin; Rusnah Syahila Duali Hussen; Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.; Acta Crystallographica, Section E 73 (2017) 667–672; doi:10.1107/S2056989017005072

data_2242106
_publ_section_title
;
 <i>trans</i>-Dichloridobis(dimethyl
 sulfoxide-\k<i>O</i>)bis(4-fluorobenzyl-\k<i>C</i>^1^)tin(IV): crystal
 structure and Hirshfeld surface analysis
;
_journal_coeditor_code           WM5381
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              667
_journal_page_last               672
_journal_paper_doi               10.1107/S2056989017005072
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Sn (C7 H6 F)2 Cl2 (C2 H6 O S)2]'
_chemical_formula_moiety         'C18 H24 Cl2 F2 O2 S2 Sn'
_chemical_formula_sum            'C18 H24 Cl2 F2 O2 S2 Sn'
_chemical_formula_weight         564.08
_chemical_name_systematic
;
<i>trans</i>-Dichloridobis(dimethyl
sulfoxide-\k<i>O</i>)bis(4-fluorobenzyl-\k<i>C</i>^1^)tin(IV)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 110.391(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.23630(10)
_cell_length_b                   12.7020(2)
_cell_length_c                   11.40380(10)
_cell_measurement_reflns_used    6127
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.3310
_cell_measurement_theta_min      5.3810
_cell_volume                     1118.28(3)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and
DIAMOND (Brandenburg, 2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'Agilent SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7792
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.515
_diffrn_reflns_theta_min         5.409
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.281
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63569
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku Oxford Diffraction, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_description       prism
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.235
_exptl_crystal_size_mid          0.117
_exptl_crystal_size_min          0.104
_refine_diff_density_max         0.348
_refine_diff_density_min         -0.758
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     126
_refine_ls_number_reflns         2292
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0182
_refine_ls_R_factor_gt           0.0176
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0233P)^2^+0.7527P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0458
_refine_ls_wR_factor_ref         0.0462
_reflns_number_gt                2228
_reflns_number_total             2292
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5381.cif
_cod_data_source_block           I
_cod_database_code               2242106
_shelx_estimated_absorpt_t_min   0.146
_shelx_estimated_absorpt_t_max   0.339
_shelx_hkl_checksum              26477
_shelx_res_checksum              43526