<i>catena</i>-Poly[bis(1,3-benzothiazol-3-ium) [[dichloridoantimonate(III)]-di-μ-chlorido-μ-oxido-[chloridoantimonate(III)]-μ-chlorido]]
Chebout, Oussama; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine; Boudaren, Chaouki; Acta Crystallographica Section E 72 (2016) 212–214; doi:10.1107/S2056989016000785

data_2241475
_publ_section_title
;
 <i>catena</i>-Poly[bis(1,3-benzothiazol-3-ium)
 [[dichloridoantimonate(III)]-di-\m-chlorido-\m-oxido-[chloridoantimonate(III)]-\m-chlorido]]
;
_journal_coeditor_code           HG5468
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              212
_journal_page_last               214
_journal_paper_doi               10.1107/S2056989016000785
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '(C7 H6 N S)2 [Sb2 Cl6 O]'
_chemical_formula_moiety         '2(C7 H6 N S +), Cl6 O Sb2 2-'
_chemical_formula_sum            'C14 H12 Cl6 N2 O S2 Sb2'
_chemical_formula_weight         744.58
_chemical_name_systematic
;<i>catena</i>-Poly[1,3-benzothiazol-3-ium
[[dichloridoantimonate(III)]-di-\m-chlorido-\m-oxido-[chloridoantimonate(III)]-\m-chlorido]]
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 111.6740(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2826(2)
_cell_length_b                   16.2448(3)
_cell_length_c                   14.9849(3)
_cell_measurement_reflns_used    8790
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.47
_cell_volume                     2326.09(8)
_computing_cell_refinement
;
SAINT (Bruker, 2011)
;
_computing_data_collection
;
APEX2 (Bruker, 2011)
;
_computing_data_reduction
;
SAINT (Bruker, 2011)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and
DIAMOND (Brandenburg & Berndt, 2001)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SIR2002 (Burla <i>et al.</i>,  2005)
;
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20349
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         2.9
_exptl_absorpt_coefficient_mu    3.201
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6304
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2002)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.126
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.768
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         5344
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0217
_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^)+(0.0186P)^2^+1.5448P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0466
_refine_ls_wR_factor_ref         0.0495
_reflns_number_gt                4627
_reflns_number_total             5344
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            hg5468sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2241475
_cod_database_fobs_code 2241475