Information card for entry 7117928

Structure parameters

• Formula: C19 H38 Fe2 O5 P2 Si2
• Calculated formula: C19 H38 Fe2 O5 P2 Si2
• SMILES: [Fe]123([P](C)(C)C)([Si]([Fe]2(C1=O)([P](C)(C)C)([Si]3(CC)CC)(C#[O])C#[O])(CC)CC)(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: 9.1382 ± 0.0006 Å
• b: 12.4474 ± 0.0008 Å
• c: 11.8729 ± 0.0008 Å
• α: 90°
• β: 96.852 ± 0.002°
• γ: 90°
• Cell volume: 1340.86 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No