Bis(1-phenylethylammonium) hexachloridostannate(IV) and bis(2-phenylethylammonium) hexachloridostannate(IV)
Billing, David G.; Lemmerer, Andreas; Rademeyer, Melanie; Acta Crystallographica Section C 63 (2007) m101–m104; doi:10.1107/S0108270107004970

data_2015840
_publ_section_title
;
 Bis(1-phenylethylammonium) hexachloridostannate(IV) and
 bis(2-phenylethylammonium) hexachloridostannate(IV)
;
_journal_coeditor_code           BM3024
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m101
_journal_page_last               m104
_journal_paper_doi               10.1107/S0108270107004970
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C8 H12 N)2 [Sn Cl6]'
_chemical_formula_moiety         '2(C8 H12 N +), Cl6 Sn 2-'
_chemical_formula_sum            'C16 H24 Cl6 N2 Sn'
_chemical_formula_weight         575.76
_chemical_name_systematic
;
Bis(2-phenylethylammonium) hexachloridostannate(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90.03(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.335(3)
_cell_length_b                   25.695(4)
_cell_length_c                   11.974(2)
_cell_measurement_reflns_used    763
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.32
_cell_measurement_theta_min      2.43
_cell_volume                     2256.8(11)
_computing_cell_refinement       'CrysAlis CCD'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction 2003)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2003)'
_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_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Oxford Excalibur2 CCD area detector'
_diffrn_measurement_method
'omega--2theta scans ##AUTHOR: Please check diffractometer and scan type.'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14565
_diffrn_reflns_theta_full        25.5
_diffrn_reflns_theta_max         25.5
_diffrn_reflns_theta_min         4.22
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.846
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_correction_T_min  0.709
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(WinGX; Farrugia, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.01
_refine_diff_density_min         -1.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.05
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         4159
_refine_ls_number_restraints     150
_refine_ls_restrained_S_all      1.10
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.049P)^2^+6.342P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.122
_reflns_number_gt                3144
_reflns_number_total             4159
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bm3024.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2015840
_cod_database_fobs_code          2015840