Bis(2-amino-3,5-dibromo-4,6-dimethylpyridinium) hexabromidostannate(IV)
Al-Far, Rawhi; Ali, Basem Fares; Acta Crystallographica Section C 63 (2007) m137–m139; doi:10.1107/S0108270107006452

data_2015891
_publ_section_title
;
 Bis(2-amino-3,5-dibromo-4,6-dimethylpyridinium)
 hexabromidostannate(IV)
;
_journal_coeditor_code           GA3039
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m137
_journal_page_last               m139
_journal_paper_doi               10.1107/S0108270107006452
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C7 H9 Br2 N2)2 [Sn Br6]'
_chemical_formula_moiety         '2C7 H9 Br2 N2 + , Br6 Sn 2-'
_chemical_formula_sum            'C14 H18 Br10 N4 Sn'
_chemical_formula_weight         1160.11
_chemical_name_systematic
;
Bis(2-amino-3,5-dibromo-4,6-dimethylpyridinium) 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           SHELXL97
_cell_angle_alpha                94.245(2)
_cell_angle_beta                 103.258(2)
_cell_angle_gamma                93.898(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8574(11)
_cell_length_b                   11.4847(13)
_cell_length_c                   12.5957(14)
_cell_measurement_reflns_used    6288
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      29.16
_cell_measurement_theta_min      2.32
_cell_volume                     1378.8(3)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'XP in SHELXTL'
_computing_publication_material  'XCIF in SHELXTL'
_computing_structure_refinement  'XL in SHELXTL'
_computing_structure_solution    'XS in SHELXTL (Sheldrick, 2004)'
_diffrn_ambient_temperature      297(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            20574
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    15.428
_exptl_absorpt_correction_T_max  0.398
_exptl_absorpt_correction_T_min  0.129
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.794
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.962
_refine_diff_density_min         -0.582
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         4979
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0323
_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^)+(0.031P)^2^+0.9567P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0758
_reflns_number_gt                4034
_reflns_number_total             4979
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ga3039.cif
_cod_data_source_block           I
_cod_database_code               2015891
_cod_database_fobs_code          2015891