Information card for entry 2233584

Structure parameters

• Chemical name: <i>catena</i>-Poly[4-methylmorpholin-4-ium [[dichloridobismuth(III)]-di-μ-chlorido]]
• Formula: C5 H12 Bi Cl4 N O
• Calculated formula: C5 H12 Bi Cl4 N O
• SMILES: C1C[NH+](C)CCO1.C1C[NH+](C)CCO1.[Bi]1(Cl)(Cl)[Cl][Bi]([Cl]1)(Cl)(Cl)(Cl)Cl
• Title of publication: <i>catena</i>-Poly[4-methylmorpholin-4-ium [[dichloridobismuth(III)]-di-μ-chlorido]]
• Authors of publication: Wang, Ying-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m181
• a: 18.166 ± 0.004 Å
• b: 9.801 ± 0.002 Å
• c: 13.915 ± 0.003 Å
• α: 90°
• β: 93.36 ± 0.03°
• γ: 90°
• Cell volume: 2473.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes