Information card for entry 4073585

Structure parameters

• Formula: C46 H76 P2 Ru
• Calculated formula: C46 H76 P2 Ru
• SMILES: [Ru]12345([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C)(=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• 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: 10.359 ± 0.005 Å
• b: 22.3 ± 0.01 Å
• c: 19.612 ± 0.008 Å
• α: 90°
• β: 102.577 ± 0.011°
• γ: 90°
• Cell volume: 4422 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.2257
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No