Information card for entry 7204901

Structure parameters

• Formula: C5 H6 Bi Cl4 N
• Calculated formula: C5 H6 Bi Cl4 N
• SMILES: c1c[nH+]ccc1.[Bi](Cl)([Cl-])(Cl)Cl
• Title of publication: Structure, phase transition and molecular motions in (C5H5NH)BiCl4
• Authors of publication: Jóźków, Jolanta; Medycki, Wojciech; Zaleski, Jacek; Jakubas, Ryszard; Bator, Grażyna; Ciunik, Zbigniew
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2001
• Journal volume: 3
• Journal issue: 15
• Pages of publication: 3222
• a: 12.717 ± 0.003 Å
• b: 12.894 ± 0.003 Å
• c: 7.274 ± 0.001 Å
• α: 90°
• β: 118.49 ± 0.03°
• γ: 90°
• Cell volume: 1048.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No