Information card for entry 4109828

Structure parameters

• Chemical name: (Me5C5)Fe[(t-Bu2MeSi)3PhGeSi2C2], Heavy Ferrocene
• Formula: C45 H84 Fe Ge Si5
• Calculated formula: C45 H84 Fe Ge Si5
• SMILES: [Ge]12([Si]3([Fe]4567891([Si]3([Si](C)(C(C)(C)C)C(C)(C)C)[CH]5=[C]24c1ccccc1)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C
• Title of publication: Heavy Ferrocene: A Sandwich Complex Containing Si and Ge Atoms
• Authors of publication: Vladimir Ya. Lee; Risa Kato; Akira Sekiguchi; Andreas Krapp; Gernot Frenking
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10340 - 10341
• a: 9.932 ± 0.0005 Å
• b: 11.929 ± 0.0006 Å
• c: 21.983 ± 0.0006 Å
• α: 82.796 ± 0.003°
• β: 87.779 ± 0.003°
• γ: 81.784 ± 0.002°
• Cell volume: 2556.9 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0702
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No