(2-Thienylmethyl)ammonium trichlorostannate(II): a hybrid salt
Mercier, Nicolas; Seyeux, Antoine; Morel, Celine; Riou, Amedee; Acta Crystallographica Section C 58 (2002) m127–m128; doi:10.1107/S0108270101020856

data_2012496
_publ_section_title
;
 (2-Thienylmethyl)ammonium trichlorostannate(II): a hybrid salt
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m127
_journal_page_last               m128
_journal_paper_doi               10.1107/S0108270101020856
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[N H3 (C5 H5 S)] [Sn Cl3]'
_chemical_formula_moiety         'C5 H8 N S + , Cl3 Sn -'
_chemical_formula_sum            'C5 H8 Cl3 N S Sn'
_chemical_formula_weight         339.22
_chemical_name_systematic
;
2-Thienylmethylammonium trichlorostannate(II)
;
_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
_cell_angle_alpha                75.604(5)
_cell_angle_beta                 79.802(6)
_cell_angle_gamma                86.418(5)
_cell_formula_units_Z            4
_cell_length_a                   5.9937(4)
_cell_length_b                   11.9746(6)
_cell_length_c                   15.7340(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      12.1
_cell_volume                     1076.32(12)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1994)'
_computing_data_reduction        'MolEN (Enraf-Nonius, 1997)'
_computing_publication_material  'CIFGEN in MolEN'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .999
_diffrn_measured_fraction_theta_max .999
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .074
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            6286
_diffrn_reflns_theta_full        29.98
_diffrn_reflns_theta_max         29.98
_diffrn_reflns_theta_min         2.71
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.255
_exptl_absorpt_correction_T_max  .722
_exptl_absorpt_correction_T_min  .453
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.093
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             648
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .2
_exptl_crystal_size_min          .1
_refine_diff_density_max         1.24
_refine_diff_density_min         -.93
_refine_ls_extinction_coef       .0052(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         6282
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          .062
_refine_ls_R_factor_gt           .038
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0541P)^2^+1.9104P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          .095
_refine_ls_wR_factor_ref         .118
_reflns_number_gt                4790
_reflns_number_total             6282
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gd1180.cif
_cod_data_source_block           I
_cod_original_cell_volume        1076.32(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2012496
_cod_database_fobs_code          2012496