Information card for entry 2233024

Structure parameters

• Chemical name: Tris(3-methylanilinium) pentachloridoantimonate(III) chloride
• Formula: C21 H30 Cl6 N3 Sb
• Calculated formula: C21 H30 Cl6 N3 Sb
• SMILES: Cc1cccc([NH3+])c1.Cc1cc([NH3+])ccc1.Cc1cccc([NH3+])c1.[Sb](Cl)(Cl)(Cl)([Cl-])[Cl-].[Cl-]
• Title of publication: Tris(3-methylanilinium) pentachloridoantimonate(III) chloride
• Authors of publication: Liu, Ming-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1812
• a: 17.171 ± 0.003 Å
• b: 9.4065 ± 0.0019 Å
• c: 20.958 ± 0.008 Å
• α: 90°
• β: 122.36 ± 0.02°
• γ: 90°
• Cell volume: 2859.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes