Information card for entry 4072958

Structure parameters

• Formula: C13 H22 Bi I N2
• Calculated formula: C13 H22 Bi I N2
• SMILES: [Bi]12([N](Cc3c2c(ccc3)C[N]1(C)C)(C)C)C.[I-]
• Title of publication: Organobismuth(III) Dihalides with T-Shaped Geometry Stabilized by Intramolecular N→Bi Interactions and Related Diorganobismuth(III) Halides
• Authors of publication: Soran, Albert P.; Silvestru, Cristian; Breunig, Hans J.; Balázs, Gabor; Green, Jennifer C.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1196
• a: 11.984 ± 0.0017 Å
• b: 13.3474 ± 0.0019 Å
• c: 20.537 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3285 ± 0.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No