Information card for entry 7106622

Structure parameters

• Formula: C42 H36 Fe Ge2 O
• Calculated formula: C42 H35.5 Fe Ge2 O
• SMILES: [FeH]1234([Ge](c5ccccc5)(c5ccccc5)c5ccccc5)([Ge](c5ccccc5)(c5ccccc5)c5ccccc5)([cH]5[cH]1[cH]4[cH]3[cH]25)C#[O]
• Title of publication: Trans-selective hydrogermylation of alkynes promoted by methyliron and bis(germyl)hydridoiron complexes as a catalyst precursor
• Authors of publication: Masumi Itazaki; Masahiro Kamitani; Hiroshi Nakazawa
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7854
• a: 12.931 ± 0.002 Å
• b: 14.4 ± 0.002 Å
• c: 19.151 ± 0.003 Å
• α: 88.061 ± 0.009°
• β: 87.698 ± 0.008°
• γ: 74.396 ± 0.007°
• Cell volume: 3430.9 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No