Bis(4-methylpyridinium) pentachloridoantimonate(III)
Wen-Jie Feng; Xin-Jü Ma; Feng Zhang; Yi-Chao Yuan; Zhi-Min Jin; Acta Crystallographica Section E 63 (2007) m2375–m2375; doi:10.1107/S1600536807040196

data_2215206
_publ_section_title
;
 Bis(4-methylpyridinium) pentachloridoantimonate(III)
;
_journal_coeditor_code           LH2475
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2375
_journal_page_last               m2375
_journal_paper_doi               10.1107/S1600536807040196
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C6 H8 N)2 [Sb Cl5]'
_chemical_formula_moiety         '2C6 H8 N + , Cl5 Sb 2-'
_chemical_formula_sum            'C12 H16 Cl5 N2 Sb'
_chemical_formula_weight         487.29
_chemical_name_systematic
;
Bis(4-methylpyridinium) pentachloridoantimonate(III)
;
_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           SHELXL97
_cell_angle_alpha                97.639(2)
_cell_angle_beta                 110.180(3)
_cell_angle_gamma                98.242(2)
_cell_formula_units_Z            2
_cell_length_a                   8.9815(13)
_cell_length_b                   10.4501(16)
_cell_length_c                   10.7488(16)
_cell_measurement_temperature    273(2)
_cell_volume                     918.9(2)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0124
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4810
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    2.219
_exptl_absorpt_correction_T_max  0.686
_exptl_absorpt_correction_T_min  0.467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.608
_refine_diff_density_min         -0.619
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_matrix_type           full
_refine_ls_number_parameters     183
_refine_ls_number_reflns         3246
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0271
_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^)+(0.0397P)^2^+0.2418P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0707
_reflns_number_gt                2966
_reflns_number_total             3246
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2475.cif
_cod_data_source_block           I
_cod_database_code               2215206
_cod_database_fobs_code          2215206