Bis(2-amino-6-methylpyridinium) di-μ-chlorido-μ-oxido-bis[dichloridoantimonate(III)]
Wen-Jie Feng; Hai-Bin Wang; Xin-Jü Ma; Hai-Yan Li; Zhi-Min Jin; Acta Crystallographica Section E 63 (2007) m1786–m1787; doi:10.1107/S160053680702586X

data_2214017
_publ_section_title
;
 Bis(2-amino-6-methylpyridinium)
 di-\m-chlorido-\m-oxido-bis[dichloridoantimonate(III)]
;
_journal_coeditor_code           AT2304
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1786
_journal_page_last               m1787
_journal_paper_doi               10.1107/S160053680702586X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C6 H9 N2)2 [Sb2 Cl6 O]'
_chemical_formula_moiety         '2C6 H9 N2 + , Cl6 O Sb2 2-'
_chemical_formula_sum            'C12 H18 Cl6 N4 O Sb2'
_chemical_formula_weight         690.52
_chemical_name_systematic
;
Bis(2-amino-6-methylpyridinium)
di-\m-chlorido-\m-oxido-bis[dichloridoantimonate(III)]
;
_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
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.597(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0746(10)
_cell_length_b                   15.1972(16)
_cell_length_c                   15.4631(14)
_cell_measurement_reflns_used    5386
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.86
_cell_measurement_theta_min      2.24
_cell_volume                     2319.2(4)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX 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  0.0263
_diffrn_reflns_av_sigmaI/netI    0.0308
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12055
_diffrn_reflns_theta_full        25.18
_diffrn_reflns_theta_max         25.18
_diffrn_reflns_theta_min         1.90
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.031
_exptl_absorpt_correction_T_max  0.419
_exptl_absorpt_correction_T_min  0.419
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.978
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1320.0
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.862
_refine_diff_density_min         -0.499
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.243
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         4137
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.242
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0475
_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^)+(0.03P)^2^+5.7532P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0929
_refine_ls_wR_factor_ref         0.0948
_reflns_number_gt                3876
_reflns_number_total             4154
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2304.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2214017
_cod_database_fobs_code          2214017