Information card for entry 2008064

Structure parameters

• Chemical name: 1,1'-Diiodo-3,3'-bis(trimethylsilyl)ferrocene
• Formula: C16 H24 Fe I2 Si2
• Calculated formula: C16 H24 Fe I2 Si2
• SMILES: [Fe]([c]12I)([cH]13)([c]21[Si](C)(C)C)([cH]12)([cH]23)([c]12I)([cH]13)([c]21[Si](C)(C)C)([cH]12)[cH]23
• Title of publication: 1,1'-Diiodo-3,3'-bis(trimethylsilyl)ferrocene
• Authors of publication: Foucher, Daniel A.; Lough, Alan J.; Park, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 33 - 35
• a: 12.0436 ± 0.0009 Å
• b: 9.187 ± 0.0005 Å
• c: 18.7995 ± 0.001 Å
• α: 90°
• β: 93.128 ± 0.008°
• γ: 90°
• Cell volume: 2077 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.092
• Goodness-of-fit parameter for all reflections: 0.922
• Goodness-of-fit parameter for significantly intense reflections: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes