Bis(4-aminopyridinium) hexachloridostannate(IV) and bis(<i>p</i>-toluidinium) hexachloridostannate(IV)
Rademeyer, M.; Lemmerer, A.; Billing, David G.; Acta Crystallographica Section C 63 (2007) m289–m292; doi:10.1107/S010827010702327X

data_2016065
_publ_section_title
;
 Bis(4-aminopyridinium) hexachloridostannate(IV) and
 bis(<i>p</i>-toluidinium) hexachloridostannate(IV)
;
_journal_coeditor_code           SK3125
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m289
_journal_page_last               m292
_journal_paper_doi               10.1107/S010827010702327X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C5 H7 N2)2 [Sn Cl6]'
_chemical_formula_moiety         '2(C5 H7 N2) +, Cl6 Sn 2-'
_chemical_formula_sum            'C10 H14 Cl6 N4 Sn'
_chemical_formula_weight         521.64
_chemical_name_systematic
;
Bis(4-aminopyridinium) 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
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                89.100(6)
_cell_angle_beta                 87.002(6)
_cell_angle_gamma                65.225(5)
_cell_formula_units_Z            1
_cell_length_a                   7.2248(6)
_cell_length_b                   8.3273(7)
_cell_length_c                   8.3403(8)
_cell_measurement_reflns_used    940
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.351
_cell_measurement_theta_min      3.627
_cell_volume                     454.96(7)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1999)'
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics
;
Ortep-3 for Windows (Farrugia, 1997) and DIAMOND (Brandenburg,
1999)
;
_computing_publication_material
;
WinGX (Farrugia, 1999) and PLATON (Spek, 2003)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1K CCD area-detector'
_diffrn_measurement_method       '\w 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  0.0735
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6423
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         2.45
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.282
_exptl_absorpt_correction_T_max  0.6895
_exptl_absorpt_correction_T_min  0.5183
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(XPREP; Bruker, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.904
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             254
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.620
_refine_ls_extinction_coef       0.037(2)
_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   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     98
_refine_ls_number_reflns         2197
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0213
_refine_ls_R_factor_gt           0.0202
_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^)+0.0957P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0508
_refine_ls_wR_factor_ref         0.0514
_reflns_number_gt                2109
_reflns_number_total             2197
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            sk3125.cif
_cod_data_source_block           I
_cod_database_code               2016065
_cod_database_fobs_code          2016065