Information card for entry 2234478

Structure parameters

• Chemical name: Tris(4-methylanilinium) pentachloridoantimonate(III) chloride monohydrate
• Formula: C21 H32 Cl6 N3 O Sb
• Calculated formula: C21 H32 Cl6 N3 O Sb
• SMILES: Cc1ccc(cc1)[NH3+].Cc1ccc(cc1)[NH3+].Cc1ccc(cc1)[NH3+].Cl[Sb]([Cl-])(Cl)(Cl)[Cl-].[Cl-].O
• Title of publication: Tris(4-methylanilinium) pentachloridoantimonate(III) chloride monohydrate
• Authors of publication: Xu, Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m438
• a: 9.4109 ± 0.0019 Å
• b: 12.867 ± 0.003 Å
• c: 13.501 ± 0.003 Å
• α: 63.35 ± 0.03°
• β: 83.08 ± 0.03°
• γ: 82.51 ± 0.03°
• Cell volume: 1445.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes