Bis(2-bromopyridinium) hexabromidostannate(IV)
Ali, Basem Fares; Al-Far, Rawhi H.; Haddad, Salim F.; Acta Crystallographica Section E 64 (2008) m749–m750; doi:10.1107/S1600536808012129

data_2218341
_publ_section_title
;
 Bis(2-bromopyridinium) hexabromidostannate(IV)
;
_journal_coeditor_code           BX2139
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m749
_journal_page_last               m750
_journal_paper_doi               10.1107/S1600536808012129
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '(C5 H5 Br N)2 [Sn Br6]'
_chemical_formula_moiety         '2(C5 H5 Br N +), Br6 Sn 2-'
_chemical_formula_sum            'C10 H10 Br8 N2 Sn'
_chemical_formula_weight         916.1244
_chemical_name_common            (2-BrpyH)2.SnBr6
_chemical_name_systematic
;
Bis(2-bromopyridinium) hexabromidostannate(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_creation_method           SHELXL-97
_cell_angle_alpha                73.14(3)
_cell_angle_beta                 67.98(3)
_cell_angle_gamma                82.44(3)
_cell_formula_units_Z            1
_cell_length_a                   7.4037(15)
_cell_length_b                   8.3393(17)
_cell_length_c                   9.4302(19)
_cell_measurement_reflns_used    255
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      2.14
_cell_volume                     516.4(2)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2006)'
_computing_data_collection       'SMART (Bruker, 2006)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2006)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'XCIF in SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'XL in SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'XS in SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker--Siemens SMART APEX'
_diffrn_measurement_method       \w
_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  0.0910
_diffrn_reflns_av_sigmaI/netI    0.0886
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2266
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.41
_diffrn_standards_decay_%        <0.01
_exptl_absorpt_coefficient_mu    16.706
_exptl_absorpt_correction_T_max  0.2611
_exptl_absorpt_correction_T_min  0.05814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.946
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             414
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.307
_refine_diff_density_min         -1.868
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     67
_refine_ls_number_reflns         1807
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0676
_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^)+(0.1076P)^2^+1.002P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1579
_refine_ls_wR_factor_ref         0.1777
_reflns_number_gt                1308
_reflns_number_total             1807
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bx2139.cif
_cod_data_source_block           I
_cod_database_code               2218341
_cod_database_fobs_code          2218341