Information card for entry 4072925

Structure parameters

• Formula: C22 H44 Fe Si6
• Calculated formula: C22 H44 Fe Si6
• SMILES: [Fe]123456789[c]%10([Si]([Si]([Si](C)(C)C)([Si](C)(C)C)[c]%115[cH]6[cH]7[cH]8[cH]9%11)([Si](C)(C)C)[Si](C)(C)C)[cH]1[cH]2[cH]3[cH]4%10
• 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: 10.354 ± 0.002 Å
• b: 12.174 ± 0.002 Å
• c: 46.891 ± 0.009 Å
• α: 93.28 ± 0.03°
• β: 91.27 ± 0.03°
• γ: 91.24 ± 0.03°
• Cell volume: 5897.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No