Information card for entry 4074582

Structure parameters

• Common name: complex 3a
• Chemical name: complex 3a
• Formula: C30 H36 Fe N2 O Si
• Calculated formula: C30 H36 Fe N2 O Si
• SMILES: [Fe]123456(C7N([Si](N(c8ccccc8)c8ccccc8)(C)C)C=C[CH]2=[CH]17)(C#[O])[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound
• Authors of publication: Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 26
• Pages of publication: 6115
• a: 17.1694 ± 0.0006 Å
• b: 9.0939 ± 0.0004 Å
• c: 18.5947 ± 0.0006 Å
• α: 90°
• β: 109.099 ± 0.002°
• γ: 90°
• Cell volume: 2743.5 ± 0.18 ų
• Cell temperature: 150.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.412
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No