2-(2-Ammoniophenylamino)ethanaminium hexachlorostannate(IV) monohydrate
Hai-Tang Li; Rui Sun; He-Ping Shi; Shu-Ping Huang; Acta Crystallographica Section E 61 (2005) m2088–m2089; doi:10.1107/S1600536805029454

data_2206947
_publ_section_title
;
 2-(2-Ammoniophenylamino)ethanaminium hexachlorostannate(IV)
 monohydrate
;
_journal_coeditor_code           FL6183
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2088
_journal_page_last               m2089
_journal_paper_doi               10.1107/S1600536805029454
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '(C8 H15 N3) [Sn Cl6], H2 O'
_chemical_formula_moiety         'C8 H17 Cl6 N3 O Sn'
_chemical_formula_sum            'C8 H17 Cl6 N3 O Sn'
_chemical_formula_weight         502.64
_chemical_name_systematic
;
2-(2-Ammoniophenylamino)ethanaminium hexachlorostannate(IV) monohydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                90.00
_cell_angle_beta                 92.985(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.2640(17)
_cell_length_b                   22.960(6)
_cell_length_c                   10.270(2)
_cell_measurement_reflns_used    3683
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.791
_cell_measurement_theta_min      2.945
_cell_volume                     1710.5(7)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '100x100 microns'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'oil  sealed '
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6951
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.77
_diffrn_standards_interval_count no
_diffrn_standards_interval_time  'no standards in IP'
_diffrn_standards_number         no
_exptl_absorpt_coefficient_mu    2.425
_exptl_absorpt_correction_T_max  0.6426
_exptl_absorpt_correction_T_min  0.5298
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.952
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.547
_refine_diff_density_min         -0.435
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     186
_refine_ls_number_reflns         3011
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0341
_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^)+(0.032P)^2^+0.2954P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0688
_refine_ls_wR_factor_ref         0.0714
_reflns_number_gt                2653
_reflns_number_total             3011
_reflns_threshold_expression     I>2\sa(I)
_cod_data_source_file            fl6183.cif
_cod_data_source_block           I
_cod_original_cell_volume        1710.6(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2206947
_cod_database_fobs_code          2206947