Information card for entry 4072927

Structure parameters

• Formula: C26 H54 Fe O Si6 Zn
• Calculated formula: C26 H54 Fe O Si6 Zn
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[Si]([Si](C)(C)C)([Si](C)(C)C)[Zn]([Si]([Si](C)(C)C)([Si](C)(C)C)[c]15[cH]9[cH]8[cH]7[cH]61)[O](CC)CC
• 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: 10.947 ± 0.002 Å
• b: 15.391 ± 0.003 Å
• c: 11.461 ± 0.002 Å
• α: 90°
• β: 107.01 ± 0.03°
• γ: 90°
• Cell volume: 1846.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No