Information card for entry 2228104

Structure parameters

• Chemical name: <i>catena</i>-Poly[(<i>S</i>)-2-methylpiperazine-1,4-diium [[trichloridobismuthate(III)]-di-μ-chlorido]]
• Formula: C5 H14 Bi Cl5 N2
• Calculated formula: C5 H14 Bi Cl5 N2
• SMILES: [Bi](Cl)(Cl)(Cl)(Cl)(Cl)[Cl][Bi](Cl)(Cl)(Cl)Cl.[C@@H]1(C[NH2+]CC[NH2+]1)C.[C@@H]1(C[NH2+]CC[NH2+]1)C
• Title of publication: <i>catena</i>-Poly[(<i>S</i>)-2-methylpiperazine-1,4-diium [[trichloridobismuthate(III)]-di-μ-chlorido]]
• Authors of publication: Ru, Zong-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1079
• a: 7.719 ± 0.001 Å
• b: 10.8997 ± 0.0016 Å
• c: 16.302 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1371.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0326
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0656
• 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