Information card for entry 4064554

Structure parameters

• Formula: C10 H15 Bi Br2
• Calculated formula: C10 H15 Bi Br2
• SMILES: [Bi]1234(Br)(Br)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Molecular Assemblies Based on Cp*BiX2Units (X = Cl, Br, I): An Experimental and Computational Study
• Authors of publication: Monakhov, Kirill Yu.; Zessin, Thomas; Linti, Gerald
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2844
• a: 8.3125 ± 0.0017 Å
• b: 9.6493 ± 0.0019 Å
• c: 16.127 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1293.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No