2,5-Dibromopyridinium hexabromidostannate(IV)
Ali, Basem Fares; Al-Far, Rawhi; Acta Crystallographica Section E 63 (2007) m892–m894; doi:10.1107/S1600536807008069

data_2212603
_publ_section_title
;
 2,5-Dibromopyridinium hexabromidostannate(IV)
;
_journal_coeditor_code           HK2204
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m892
_journal_page_last               m894
_journal_paper_doi               10.1107/S1600536807008069
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C5 H4 Br2 N)2 '[Sn Br6]''
_chemical_formula_moiety         '2(C5 H4 Br2 N +), Br6 Sn 2-'
_chemical_formula_sum            'C10 H8 Br10 N2 Sn'
_chemical_formula_weight         1073.89
_chemical_name_common            '[2,5-DBrpyH]2.SnBr6'
_chemical_name_systematic
;
2,5-Dibromopyridinium hexabromidostannate(IV)
;
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.566(4)
_cell_length_b                   24.566(4)
_cell_length_c                   7.7555(12)
_cell_measurement_reflns_used    9875
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.8764
_cell_measurement_theta_min      1.1749
_cell_volume                     4680.4(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'SHELXP97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXCIF97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      294(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       'data integrate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0628
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            26765
_diffrn_reflns_theta_full        25.23
_diffrn_reflns_theta_max         25.23
_diffrn_reflns_theta_min         2.34
_diffrn_standards_decay_%        0.000
_exptl_absorpt_coefficient_mu    18.158
_exptl_absorpt_correction_T_max  0.163
_exptl_absorpt_correction_T_min  0.044
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'Shape Tracing Software [Please provide reference]'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    3.047
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3856
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.392
_refine_diff_density_min         -0.403
_refine_ls_abs_structure_details 'Flack (1983), 1442 Friedel pairs'
_refine_ls_abs_structure_Flack   0.008(13)
_refine_ls_extinction_coef       0.000518(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.213
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     106
_refine_ls_number_reflns         2126
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.213
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0478
_refine_ls_wR_factor_ref         0.0479
_reflns_number_gt                2120
_reflns_number_total             2126
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2204.cif
_cod_data_source_block           I
_cod_database_code               2212603
_cod_database_fobs_code          2212603