Information card for entry 4074584

Structure parameters

• Common name: complex 5a
• Chemical name: complex 5a
• Formula: C29 H36 Fe N2 Si
• Calculated formula: C29 H36 Fe N2 Si
• SMILES: [Fe]12345678(C9N([Si](N(c%10ccccc%10)c%10ccccc%10)(C)C)[CH]4=[CH]3[CH]2=[CH]19)[c]1([c]5([c]6([c]7([c]81C)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: 16.1381 ± 0.0004 Å
• b: 10.0021 ± 0.0004 Å
• c: 16.4567 ± 0.0007 Å
• α: 90°
• β: 100.529 ± 0.001°
• γ: 90°
• Cell volume: 2611.63 ± 0.17 ų
• Cell temperature: 150.2 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No