Information card for entry 7106801

Structure parameters

• Formula: C23 H30 B Fe Ir O3
• Calculated formula: C23 H30 B Fe Ir O3
• SMILES: [Fe]1234(C#[O])(C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)[B][Ir]1234(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Metalloborylene Complexes by Borylene Transmetallation
• Authors of publication: Holger Braunschweig; Katharina Kraft; Krzysztof Radacki; Rian D. Dewhurst
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9900
• a: 8.398 ± 0.003 Å
• b: 9.349 ± 0.004 Å
• c: 15.567 ± 0.005 Å
• α: 80.62 ± 0.02°
• β: 89.08 ± 0.02°
• γ: 72.57 ± 0.02°
• Cell volume: 1149.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.429
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No