Information card for entry 4081095

Structure parameters

• Formula: C36 H55 Bi N2 Si
• Calculated formula: C36 H55 Bi N2 Si
• SMILES: [Bi]1(N(c2c(cccc2C(C)C)C(C)C)[Si](N1c1c(cccc1C(C)C)C(C)C)(C)C)C1(C(=C(C(=C1C)C)C)C)C
• Title of publication: Assigning Hapticity to Cyclopentadienyl Derivatives of Antimony and Bismuth
• Authors of publication: Day, Benjamin M.; Coles, Martyn P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4270
• a: 10.192 ± 0.0003 Å
• b: 20.3511 ± 0.0006 Å
• c: 17.9516 ± 0.0005 Å
• α: 90°
• β: 97.701 ± 0.002°
• γ: 90°
• Cell volume: 3689.91 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No