Bis(3-hydroxymethylanilinium) hexachloridostannate(IV)
Bouacida, Sofiane; Kechout, Habiba; Belhouas, Ratiba; Merazig, Hocine; Roisnel, Thierry; Acta Crystallographica Section E 67 (2011) m395–; doi:10.1107/S1600536811007252

data_2229694
_publ_section_title
;
 Bis(3-hydroxymethylanilinium) hexachloridostannate(IV)
;
_journal_coeditor_code           HY2408
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m395
_journal_paper_doi               10.1107/S1600536811007252
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C7 H10 N O)2 [Sn Cl6]'
_chemical_formula_moiety         '2(C7 H10 N O), Cl6 Sn '
_chemical_formula_structural     'C14 H20 Cl6 N2 O2 Sn'
_chemical_formula_sum            'C14 H20 Cl6 N2 O2 Sn'
_chemical_formula_weight         579.73
_chemical_name_systematic
;
Bis(3-hydroxymethylanilinium) hexachloridostannate(IV)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 105.989(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.4785(11)
_cell_length_b                   11.2959(16)
_cell_length_c                   12.6153(18)
_cell_measurement_reflns_used    3840
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.40
_cell_measurement_theta_min      3.36
_cell_volume                     1024.5(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg & Berndt, 1999)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>, 2003)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5915
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.46
_exptl_absorpt_coefficient_mu    2.041
_exptl_absorpt_correction_T_max  0.693
_exptl_absorpt_correction_T_min  0.423
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.631
_refine_diff_density_min         -1.273
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     117
_refine_ls_number_reflns         2279
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0247
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0194P)^2^+0.1921P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0559
_refine_ls_wR_factor_ref         0.0582
_reflns_number_gt                2027
_reflns_number_total             2279
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2408.cif
_cod_data_source_block           I
_cod_database_code               2229694
_cod_database_fobs_code          2229694