Information card for entry 7117927

Structure parameters

• Formula: C20 H38 Fe2 O6 P2 Si2
• Calculated formula: C20 H38 Fe2 O6 P2 Si2
• SMILES: C(C)[Si]1(CC)[Fe]([P](C)(C)C)(C#[O])(C#[O])(C#[O])[Si](CC)(CC)[Fe]1([P](C)(C)C)(C#[O])(C#[O])C#[O]
• 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: 10.1597 ± 0.0016 Å
• b: 12.9 ± 0.002 Å
• c: 10.7901 ± 0.0018 Å
• α: 90°
• β: 105.385 ± 0.005°
• γ: 90°
• Cell volume: 1363.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No