Information card for entry 4072955

Structure parameters

• Formula: C12 H19 Bi Cl2 N2
• Calculated formula: C12 H19 Bi Cl2 N2
• SMILES: [Bi]12(Cl)(Cl)[N](Cc3c2c(ccc3)C[N]1(C)C)(C)C
• 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: 8.2936 ± 0.0007 Å
• b: 10.2996 ± 0.0008 Å
• c: 10.3432 ± 0.0008 Å
• α: 66.992 ± 0.001°
• β: 75.125 ± 0.001°
• γ: 81.912 ± 0.001°
• Cell volume: 785.18 ± 0.11 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No