Bis(dimethylammonium) tetrachloridodimethylstannate(IV)
Diop, Tidiane; Diop, Libasse; Michaud, Francois; Acta Crystallographica Section E 67 (2011) m696–; doi:10.1107/S1600536811013584

data_2230231
_publ_section_title
;
 Bis(dimethylammonium) tetrachloridodimethylstannate(IV)
;
_journal_coeditor_code           BR2163
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m696
_journal_paper_doi               10.1107/S1600536811013584
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C2 H8 N)2 [Sn C H3)2 Cl4]'
_chemical_formula_moiety         '2(C2 H8 N +), C2 H6 Cl4 Sn 2-'
_chemical_formula_sum            'C6 H22 Cl4 N2 Sn'
_chemical_formula_weight         382.75
_chemical_name_systematic
;
Bis(dimethylammonium) tetrachloridodimethylstannate(IV)
;
_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_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                109.625(14)
_cell_angle_beta                 98.345(12)
_cell_angle_gamma                92.812(12)
_cell_formula_units_Z            1
_cell_length_a                   6.6162(9)
_cell_length_b                   7.3703(11)
_cell_length_c                   8.4555(12)
_cell_measurement_reflns_used    3675
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      31.29
_cell_measurement_theta_min      2.90
_cell_volume                     382.13(10)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2009)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2009)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2009)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      297(2)
_diffrn_detector_area_resol_mean 8.3622
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'Kappa-geometry diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Sapphire2'
_diffrn_measurement_method
;
4 stepped omega-scans over 115 deg. with kappa -79 deg. (chi -58.3 deg.),
        phi 0, 90, 180, 270 deg.
        step 1 deg., exposure time 45 s
        detector distance 50 mm
        detector angle 30 deg.
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3329
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         4.07
_exptl_absorpt_coefficient_mu    2.341
_exptl_absorpt_correction_T_max  0.6518
_exptl_absorpt_correction_T_min  0.3523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis CCD; Oxford Diffraction, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description
;
        fragment of rounded block
;
_exptl_crystal_F_000             190
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.563
_refine_diff_density_min         -0.433
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     64
_refine_ls_number_reflns         1871
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0362P)^2^+0.2233P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0599
_refine_ls_wR_factor_ref         0.0604
_reflns_number_gt                1839
_reflns_number_total             1871
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br2163.cif
_cod_data_source_block           I
_cod_original_cell_volume        382.13(9)
_cod_database_code               2230231
_cod_database_fobs_code          2230231