Information card for entry 7117926

Structure parameters

• Formula: C19 H31 B Cl Fe O3 P Si
• Calculated formula: C19 H31 B Cl Fe O3 P Si
• SMILES: [Fe](C#[O])(C#[O])(C#[O])(B(Cl)c1c(c(cc(c1C)C)C)C)([P](C)(C)C)[Si](C)(C)C
• Title of publication: 1,2-Halosilane vs. 1,2-alkylborane elimination from (boryl)(silyl) complexes of iron: switching between borylenes and silylenes just by changing the alkyl group
• Authors of publication: Holger Braunschweig; Rian D. Dewhurst; Krzysztof Radacki; Benedikt Wennemann; Qing Ye
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15465
• a: 8.606 ± 0.002 Å
• b: 18.251 ± 0.01 Å
• c: 14.997 ± 0.007 Å
• α: 90°
• β: 91.994 ± 0.015°
• γ: 90°
• Cell volume: 2354.1 ± 1.8 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 8
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No