Information card for entry 7113663

Structure parameters

• Formula: C30 H36 Fe N2 O Si
• Calculated formula: C30 H36 Fe N2 O Si
• SMILES: [Fe]1234([n]5ccccc5)(C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)[Si](N(c1ccccc1)c1ccccc1)(C)C
• Title of publication: Insertion of pyridine into an iron‒silicon bond: structure of the product Cp*(CO)Fe{η3(C,C,C)-C5H5NSiMe2NPh2}
• Authors of publication: Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 21
• Pages of publication: 2744 - 2745
• a: 11.4245 ± 0.0004 Å
• b: 16.9079 ± 0.0005 Å
• c: 13.866 ± 0.0003 Å
• α: 90°
• β: 92.431 ± 0.002°
• γ: 90°
• Cell volume: 2676.01 ± 0.14 ų
• Cell temperature: 150.2 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 significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104872
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No