Information card for entry 2222134

Structure parameters

• Chemical name: Diisonicotinium pentachloridoantimonate(III) monohydrate
• Formula: C12 H14 Cl5 N2 O5 Sb
• Calculated formula: C12 H14 Cl5 N2 O5 Sb
• SMILES: OC(=O)c1cc[nH+]cc1.[Cl-][Sb](Cl)(Cl)([Cl-])Cl.O.OC(=O)c1cc[nH+]cc1
• Title of publication: Diisonicotinium pentachloridoantimonate(III) monohydrate
• Authors of publication: Chen, Li-Zhuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m683
• a: 10.334 ± 0.002 Å
• b: 8.7319 ± 0.0017 Å
• c: 23.615 ± 0.007 Å
• α: 90°
• β: 106.98 ± 0.03°
• γ: 90°
• Cell volume: 2038 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes