Bis[3-(methoxycarbonyl)anilinium] hexachloridostannate(IV)
Xue, Rui-Ting; Song, Xian-Wang; Chen, Shou-Gang; Yin, Yan-Sheng; Acta Crystallographica Section E 67 (2011) m188–; doi:10.1107/S1600536810054310

data_2229000
_publ_section_title
;
 Bis[3-(methoxycarbonyl)anilinium] hexachloridostannate(IV)
;
_journal_coeditor_code           CV5016
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m188
_journal_paper_doi               10.1107/S1600536810054310
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C8 H10 N O2)2 [Sn Cl6]'
_chemical_formula_moiety         '2(C8 H10 N O2 +), Cl6 Sn 2-'
_chemical_formula_sum            'C16 H20 Cl6 N2 O4 Sn'
_chemical_formula_weight         635.73
_chemical_name_systematic
;
Bis[3-(methoxycarbonyl)anilinium] hexachloridostannate(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
_cell_angle_alpha                86.980(2)
_cell_angle_beta                 81.970(2)
_cell_angle_gamma                65.8700(10)
_cell_formula_units_Z            1
_cell_length_a                   7.2320(7)
_cell_length_b                   8.2701(9)
_cell_length_c                   11.2801(12)
_cell_measurement_reflns_used    2281
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.583
_cell_measurement_theta_min      2.681
_cell_volume                     609.66(11)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega 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  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3096
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    1.729
_exptl_absorpt_correction_T_max  0.8193
_exptl_absorpt_correction_T_min  0.7460
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             314
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         3.341
_refine_diff_density_min         -1.323
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     135
_refine_ls_number_reflns         2084
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0568
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1210P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1481
_refine_ls_wR_factor_ref         0.1563
_reflns_number_gt                1846
_reflns_number_total             2084
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            cv5016.cif
_cod_data_source_block           I
_cod_database_code               2229000
_cod_database_fobs_code          2229000