Crystal structure of bis(2-methyl-1<i>H</i>-imidazol-3-ium) μ-oxalato-bis[<i>n</i>-butyltrichloridostannate(IV)]
Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.; Acta Crystallographica Section E 72 (2016) 858–860; doi:10.1107/S2056989016008434

data_2241699
_publ_section_title
;
 Crystal structure of bis(2-methyl-1<i>H</i>-imidazol-3-ium)
 \m-oxalato-bis[<i>n</i>-butyltrichloridostannate(IV)]
;
_journal_coeditor_code           WM5293
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              858
_journal_page_last               860
_journal_paper_doi               10.1107/S2056989016008434
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '(C4 H7 N2)2 [Sn2 (C4 H9)2 (C2 O4) Cl6]'
_chemical_formula_moiety         '2(C4 H7 N2 +), C10 H18 Cl6 O4 Sn2 2-'
_chemical_formula_sum            'C18 H32 Cl6 N4 O4 Sn2'
_chemical_formula_weight         818.60
_chemical_name_systematic
;
Bis(2-methyl-1<i>H</i>-imidazol-3-ium)
\m-oxalato-bis[<i>n</i>-butyltrichloridostannate(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   mixed
_atom_sites_solution_primary     vecmap
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 100.4530(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.4674(5)
_cell_length_b                   11.4709(4)
_cell_length_c                   10.2030(3)
_cell_measurement_reflns_used    9885
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.69
_cell_volume                     1550.03(9)
_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection
;
APEX2 (Bruker, 2015)
;
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
XP (Sheldrick, 2008)
;
_computing_publication_material
;
<i>CIFTAB</i> (Sheldrick, 2008) and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Kappa X8 APEXII'
_diffrn_measurement_method       'combination of \w and \f-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  0.0178
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            20211
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.337
_diffrn_reflns_theta_min         2.349
_exptl_absorpt_coefficient_mu    2.158
_exptl_absorpt_correction_T_max  0.8111
_exptl_absorpt_correction_T_min  0.6711
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Krause <i>et al.</i>, 2015)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_description       block
_exptl_crystal_F_000             804
_exptl_crystal_size_max          0.291
_exptl_crystal_size_mid          0.183
_exptl_crystal_size_min          0.116
_refine_diff_density_max         0.687
_refine_diff_density_min         -0.456
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         3868
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0241
_refine_ls_R_factor_gt           0.0210
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0236P)^2^+0.9516P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0493
_refine_ls_wR_factor_ref         0.0511
_reflns_number_gt                3490
_reflns_number_total             3868
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5293sup1.cif
_cod_data_source_block           I
_cod_database_code               2241699
_shelx_estimated_absorpt_t_min   0.572
_shelx_estimated_absorpt_t_max   0.788
_shelx_hkl_checksum              7239
_shelx_res_checksum              46822
_cod_database_fobs_code 2241699