Crystal structure of bis(2-methyl-1<i>H</i>-imidazol-3-ium) dihydroxidobis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV) monohydrate
Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Maris, Thierry; Acta Crystallographica Section E 72 (2016) 355–357; doi:10.1107/S2056989016002061

data_2241557
_publ_section_title
;
 Crystal structure of bis(2-methyl-1<i>H</i>-imidazol-3-ium)
 dihydroxidobis(oxalato-\k^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV)
 monohydrate
;
_journal_coeditor_code           WM5268
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              355
_journal_page_last               357
_journal_paper_doi               10.1107/S2056989016002061
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '(C4 H7 N2)2 [Sn (C2 O4)2 (H2 O1)2], H2 O'
_chemical_formula_moiety         '2(C4 H7 N2 +), C4 H2 O10 Sn 2-, H2 O'
_chemical_formula_sum            'C12 H18 N4 O11 Sn'
_chemical_formula_weight         512.99
_chemical_name_systematic
;
Bis(2-methyl-1<i>H</i>-imidazol-3-ium)
dihydroxidobis(oxalato-\k^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV)
monohydrate
;
_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     direct
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                90
_cell_angle_beta                 106.582(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.1391(13)
_cell_length_b                   7.0651(5)
_cell_length_c                   13.4942(9)
_cell_measurement_reflns_used    9589
_cell_measurement_temperature    110
_cell_measurement_theta_max      60.828
_cell_measurement_theta_min      4.239
_cell_volume                     1840.2(2)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>, 2009) and Mercury (Macrae <i>et
al.</i>,
2008)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>, 2009) and <i>publCIF</i>
(Westrip,
2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      110
_diffrn_detector_area_resol_mean 10.24
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Venture Metaljet'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  'Helios MX Mirror Optics'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            42907
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.866
_diffrn_reflns_theta_min         1.991
_exptl_absorpt_coefficient_mu    7.834
_exptl_absorpt_correction_T_max  0.7519
_exptl_absorpt_correction_T_min  0.5093
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Krause <i>et al.</i>, 2015)
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.866
_refine_diff_density_min         -0.808
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         4235
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0396
_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^)+(0.0612P)^2^+2.7674P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                4110
_reflns_number_total             4235
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5268sup1.cif
_cod_data_source_block           I
_cod_database_code               2241557
_shelx_estimated_absorpt_t_min   0.318
_shelx_estimated_absorpt_t_max   0.539
_shelx_hkl_checksum              47159
_shelx_res_checksum              22769
_cod_database_fobs_code 2241557