Information card for entry 4074583

Structure parameters

• Common name: complex4j
• Chemical name: complex4j
• Formula: C27 H35 N O Ru Si
• Calculated formula: C27 H34 N O Ru Si
• SMILES: [Ru]12345([Si](N(c6ccc(cc6)C)c6ccc(cc16)C)(C)C)(C#[O])[c]1([c]2([c]3([c]4([c]51C)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: 40.598 ± 0.001 Å
• b: 8.7016 ± 0.0001 Å
• c: 15.1845 ± 0.0002 Å
• α: 90°
• β: 107.912 ± 0.002°
• γ: 90°
• Cell volume: 5104.19 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No