Information card for entry 4072959

Structure parameters

• Formula: C24 H38 Bi Cl N4
• Calculated formula: C24 H38 Bi Cl N4
• SMILES: [Bi]1(Cl)([N](Cc2c1c(ccc2)CN(C)C)(C)C)c1c(cccc1CN(C)C)CN(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: 9.9668 ± 0.0007 Å
• b: 17.2075 ± 0.0012 Å
• c: 15.5319 ± 0.0011 Å
• α: 90°
• β: 94.738 ± 0.001°
• γ: 90°
• Cell volume: 2654.7 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No