Information card for entry 7049736

Structure parameters

• Chemical name: Bis-tert-butylcyanobismutan
• Formula: C9 H18 Bi N
• Calculated formula: C9 H18 Bi N
• Title of publication: Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.
• Authors of publication: Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 16
• Pages of publication: 5253 - 5262
• a: 13.3118 ± 0.0006 Å
• b: 13.3118 ± 0.0006 Å
• c: 6.282 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1113.2 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No