Information card for entry 7106802

Structure parameters

• Formula: C36 H45 B Fe2 O6 Rh2
• Calculated formula: C36 H45 B Fe2 O6 Rh2
• SMILES: [Rh]12345([Rh]6789([Fe]%10%11%12%13(C8=O)(C9=O)(C#[O])[c]8([c]%10([c]%11([c]%12([c]%138C)C)C)C)C)[Fe]89%10%11(B16)(C#[O])(C7=O)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)(C#[O])[c]1([c]2([c]3([c]4([c]51C)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: 8.8386 ± 0.0007 Å
• b: 11.5497 ± 0.0009 Å
• c: 18.041 ± 0.0014 Å
• α: 88.332 ± 0.004°
• β: 79.256 ± 0.003°
• γ: 83.798 ± 0.003°
• Cell volume: 1798.7 ± 0.2 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: 0.0357
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0457
• 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