Information card for entry 4072957

Structure parameters

• Formula: C12 H19 Bi I2 N2
• Calculated formula: C12 H19 Bi I2 N2
• SMILES: c12c3C[N](C)([Bi]1(I)(I)[N](Cc2ccc3)(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: 16.278 ± 0.003 Å
• b: 11.848 ± 0.002 Å
• c: 8.8883 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1714.2 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No