Information card for entry 4075493

Structure parameters

• Chemical name: (Eta5-cyclopentadienyl)iron(carbonyl)triphenylphosphine hexamethyltrisilacyclopentane
• Formula: C30 H37 Fe O P Si3
• Calculated formula: C30 H37 Fe O P Si3
• SMILES: [Fe]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([Si]([Si]([Si]([c]61[cH]5[cH]4[cH]3[cH]26)(C)C)(C)C)(C)C)C#[O]
• Title of publication: Photochemical Ring-Contraction of a Tetrasilaferracyclohexane of the (η5-C5H4)Fe(CO)2System to Trisilaferracyclopentanes
• Authors of publication: Sharma, Hemant K.; Cervantes-Lee, Francisco; Pannell, Keith H.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3969
• a: 13.363 ± 0.002 Å
• b: 14.929 ± 0.003 Å
• c: 31.447 ± 0.005 Å
• α: 90°
• β: 98.188 ± 0.003°
• γ: 90°
• Cell volume: 6209.6 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No