Information card for entry 4073586

Structure parameters

• Formula: C42 H68 P2 Ru
• Calculated formula: C42 H68 P2 Ru
• SMILES: [Ru]12345(=Pc6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)([P](C6CCCCC6)(C6CCCCC6)C6CCCCC6)[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56
• Title of publication: Ruthenium-Stabilized Low-Coordinate Phosphorus Atoms.p-Cymene Ligand as Reactivity Switch
• Authors of publication: Menye-Biyogo, Richard; Delpech, Fabien; Castel, Annie; Pimienta, Véronique; Gornitzka, Heinz; Rivière, Pierre
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 5091
• a: 10.385 ± 0.013 Å
• b: 15.164 ± 0.018 Å
• c: 15.641 ± 0.019 Å
• α: 61.91 ± 0.02°
• β: 73.53 ± 0.02°
• γ: 78.16 ± 0.02°
• Cell volume: 2076 ± 4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.236
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No