Information card for entry 4075492

Structure parameters

• Chemical name: (?5-cyclopentadienyl)iron(dicarbonyl)hexamethyltrisilacyclopentane
• Formula: C13 H22 Fe O2 Si3
• Calculated formula: C13 H22 Fe O2 Si3
• SMILES: [Fe]12345([Si]([Si]([Si]([c]61[cH]5[cH]4[cH]3[cH]26)(C)C)(C)C)(C)C)(C#[O])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: 13.183 ± 0.005 Å
• b: 10.707 ± 0.005 Å
• c: 13.35 ± 0.005 Å
• α: 90°
• β: 106.33 ± 0.03°
• γ: 90°
• Cell volume: 1808.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No