Information card for entry 4330931

Structure parameters

• Formula: C24 H48 Fe Si2
• Calculated formula: C24 H48 Fe Si2
• SMILES: [Fe]1234([c]5([c]1([cH]2[c]3([cH]45)C(C)(C)C)C(C)(C)C)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Reactivity Studies on [Cp'FeI]2: Monomeric Amido, Phenoxo, and Alkyl Complexes
• Authors of publication: Marc D. Walter; Peter S. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11860 - 11872
• a: 9.8466 ± 0.001 Å
• b: 14.7897 ± 0.0016 Å
• c: 18.8919 ± 0.0019 Å
• α: 90°
• β: 94.933 ± 0.006°
• γ: 90°
• Cell volume: 2741 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No