Information card for entry 4088320

Structure parameters

• Formula: C55 H43 F Ge Ir O P3
• Calculated formula: C55 H43 F Ge Ir O P3
• SMILES: [Ir]12(C#[O])([Ge](F)(c3ccccc3[P]1(c1ccccc1)c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Transition-Metal-Mediated Germanium‒Fluorine Activation: Inverse Electron Flow in σ-Bond Metathesis
• Authors of publication: Kameo, Hajime; Ikeda, Koki; Bourissou, Didier; Sakaki, Shigeyoshi; Takemoto, Shin; Nakazawa, Hiroshi; Matsuzaka, Hiroyuki
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 713
• a: 22.4532 ± 0.0008 Å
• b: 10.6774 ± 0.0003 Å
• c: 38.2349 ± 0.0014 Å
• α: 90°
• β: 96.0361 ± 0.0018°
• γ: 90°
• Cell volume: 9115.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No