Information card for entry 2206718

Structure parameters

• Chemical name: Diethylenetriaminium(3+) hexachlorobismuthate(III)
• Formula: C4 H16 Bi Cl6 N3
• Calculated formula: C4 H16 Bi Cl6 N3
• SMILES: [Bi](Cl)(Cl)([Cl-])([Cl-])([Cl-])Cl.[NH3+]CC[NH2+]CC[NH3+]
• Title of publication: Diethylenetriaminium(3+) hexachlorobismuthate(III)
• Authors of publication: Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1717 - m1718
• a: 6.8466 ± 0.0003 Å
• b: 15.668 ± 0.0008 Å
• c: 13.6328 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1462.42 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes