Information card for entry 2233004

Structure parameters

• Chemical name: Bis(piperazine-1,4-diium) hexachloridobismuthate(III) chloride monohydrate
• Formula: C8 H26 Bi Cl7 N4 O
• Calculated formula: C8 H26 Bi Cl7 N4 O
• SMILES: [Bi](Cl)([Cl-])([Cl-])(Cl)(Cl)[Cl-].C1[NH2+]CC[NH2+]C1.C1C[NH2+]CC[NH2+]1.[Cl-].O
• Title of publication: Bis(piperazine-1,4-diium) hexachloridobismuthate(III) chloride monohydrate
• Authors of publication: Gao, Yu-Hua; Liu, Xiao-Jia; Sun, Lei; Le, Wen-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1688
• a: 11.085 ± 0.003 Å
• b: 16.642 ± 0.004 Å
• c: 11.862 ± 0.003 Å
• α: 90°
• β: 98.997 ± 0.003°
• γ: 90°
• Cell volume: 2161.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes