Information card for entry 4069489

Structure parameters

• Formula: C17 H25 Fe Ge N O
• Calculated formula: C17 H25 Fe Ge N O
• SMILES: [Fe]1234([Ge](CC)(CC)CC)([cH]5[cH]1[cH]2[cH]3[cH]45)([n]1ccccc1)C#[O]
• Title of publication: Syntheses and Ligand Exchange Reaction of Iron(IV) Complexes with Two Different Group 14 Element Ligands, Cp(CO)FeH(EEt3)(E′Et3) (E, E′ = Si, Ge, Sn)
• Authors of publication: Itazaki, Masumi; Kamitani, Masahiro; Ueda, Kensuke; Nakazawa, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3601
• a: 13.33 ± 0.005 Å
• b: 8.09 ± 0.003 Å
• c: 16.22 ± 0.006 Å
• α: 90°
• β: 91.56 ± 0.009°
• γ: 90°
• Cell volume: 1748.5 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No