Information card for entry 2241475

Structure parameters

• Chemical name: <i>catena</i>-Poly[1,3-benzothiazol-3-ium [[dichloridoantimonate(III)]-di-μ-chlorido-μ-oxido-[chloridoantimonate(III)]-μ-chlorido]]
• Formula: C14 H12 Cl6 N2 O S2 Sb2
• Calculated formula: C14 H12 Cl6 N2 O S2 Sb2
• SMILES: s1c[nH+]c2c1cccc2.s1c[nH+]c2c1cccc2.[Sb]12(Cl)(Cl)[Cl][Sb](Cl)(Cl)(O1)[Cl]2
• Title of publication: <i>catena</i>-Poly[bis(1,3-benzothiazol-3-ium) [[dichloridoantimonate(III)]-di-μ-chlorido-μ-oxido-[chloridoantimonate(III)]-μ-chlorido]]
• Authors of publication: Chebout, Oussama; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine; Boudaren, Chaouki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 212 - 214
• a: 10.2826 ± 0.0002 Å
• b: 16.2448 ± 0.0003 Å
• c: 14.9849 ± 0.0003 Å
• α: 90°
• β: 111.674 ± 0.001°
• γ: 90°
• Cell volume: 2326.09 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes