Information card for entry 4072929

Structure parameters

• Formula: C22 H44 Fe Si6
• Calculated formula: C22 H44 Fe Si6
• SMILES: [Fe]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)[Si@@]([Si]([Si]([Si@@]([Si](C)(C)C)([c]15[cH]6[cH]7[cH]8[cH]91)C)(C)C)(C)C)([Si](C)(C)C)C
• Title of publication: 1,1‘-Oligosilylferrocene Compounds
• Authors of publication: Wagner, Harald; Baumgartner, Judith; Marschner, Christoph
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1762
• a: 8.6754 ± 0.0017 Å
• b: 18.203 ± 0.004 Å
• c: 9.5236 ± 0.0019 Å
• α: 90°
• β: 98.71 ± 0.03°
• γ: 90°
• Cell volume: 1486.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No