Information card for entry 4072928

Structure parameters

• Formula: C32 H54 Fe Hf Si6
• Calculated formula: C32 H54 Fe Hf Si6
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[Si]([Hf]1234%10%11%12%13([Si]([Si](C)(C)C)([Si](C)(C)C)[c]%145[cH]6[cH]7[cH]8[cH]9%14)([cH]5[cH]1[cH]2[cH]3[cH]45)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)([Si](C)(C)C)[Si](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: 16.67 ± 0.003 Å
• b: 11.827 ± 0.002 Å
• c: 20.571 ± 0.004 Å
• α: 90°
• β: 113.38 ± 0.03°
• γ: 90°
• Cell volume: 3722.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No