Information card for entry 2206719

Structure parameters

• Chemical name: Bis[N-methylpiperidinium(2+)] di-μ-chloro-bis[tetrachlorobismuthate(III)] dihydrate
• Formula: C10 H32 Bi2 Cl10 N4 O2
• Calculated formula: C10 H32 Bi2 Cl10 N4 O2
• SMILES: C1[NH2+]CC[NH+](C1)C.C1[NH2+]CC[NH+](C1)C.[Bi]1([Cl][Bi]([Cl]1)(Cl)(Cl)(Cl)Cl)(Cl)(Cl)(Cl)Cl.O.O
• Title of publication: Bis[<i>N</i>-methylpiperidinium(2+)] di-μ-chloro-bis[tetrachlorobismuthate(III)] dihydrate
• 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: m1719 - m1720
• a: 7.7443 ± 0.0006 Å
• b: 18.55 ± 0.002 Å
• c: 9.9726 ± 0.0008 Å
• α: 90°
• β: 92.925 ± 0.001°
• γ: 90°
• Cell volume: 1430.8 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes