Bis(2,6-diamino-3,5-dibromopyridinium) hexabromidostannate(IV)
Al-Far, Rawhi H.; Haddad, Salim F.; Ali, Basem Fares; Acta Crystallographica Section E 65 (2009) m583–m584; doi:10.1107/S1600536809015189

data_2221726
_publ_section_title
;
 Bis(2,6-diamino-3,5-dibromopyridinium) hexabromidostannate(IV)
;
_journal_coeditor_code           HK2669
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m583
_journal_page_last               m584
_journal_paper_doi               10.1107/S1600536809015189
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '(C5 H6 Br2 N3)2 '[Sn Br6]''
_chemical_formula_moiety         '2(C5 H6 Br2 N3 +), Br6 Sn 2-'
_chemical_formula_sum            'C10 H12 Br10 N6 Sn'
_chemical_formula_weight         1133.97
_chemical_name_common            '[3,5-DBr-2,6-DAmPyH]2.(SnBr6)'
_chemical_name_systematic
;
Bis(2,6-diamino-3,5-dibromopyridinium) hexabromidostannate(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 112.556(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3696(14)
_cell_length_b                   16.720(2)
_cell_length_c                   9.5814(15)
_cell_measurement_reflns_used    29
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      12.50
_cell_measurement_theta_min      5.69
_cell_volume                     1238.3(3)
_computing_cell_refinement       'XSCANS (Bruker, 1996)'
_computing_data_collection       'XSCANS (Bruker, 1996)'
_computing_data_reduction        'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker P4'
_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  0.0783
_diffrn_reflns_av_sigmaI/netI    0.0907
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2825
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.44
_diffrn_standards_decay_%        0.01
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    17.177
_exptl_absorpt_correction_T_max  0.03510
_exptl_absorpt_correction_T_min  0.00746
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(<i>XSCANS</i>; Bruker, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.042
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1028
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.968
_refine_diff_density_min         -1.625
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         2162
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1017
_refine_ls_R_factor_gt           0.0587
_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^)+(0.0766P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1257
_refine_ls_wR_factor_ref         0.1460
_reflns_number_gt                1437
_reflns_number_total             2162
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2669.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2221726
_cod_database_fobs_code          2221726