Information card for entry 4082946

Structure parameters

• Formula: C26 H22 Fe O2 Si
• Calculated formula: C26 H22 Fe O2 Si
• SMILES: [Fe]1234([Si](c5ccccc5)(c5ccccc5)c5ccccc5)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[c]45C
• Title of publication: A New Approach to Directly Synthesize (η5-C5H4R)Fe(CO)2SiR′3by Reaction of Cyclopentadienes with Pentacarbonyliron and Hydrosilanes
• Authors of publication: Gu, Guangna; Luo, Haiou; Sun, Huailin
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1710
• a: 8.267 ± 0.004 Å
• b: 10.302 ± 0.006 Å
• c: 14.217 ± 0.008 Å
• α: 89.16 ± 0.02°
• β: 77.12 ± 0.02°
• γ: 66.571 ± 0.015°
• Cell volume: 1079.3 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No