Information card for entry 4073587

Structure parameters

• Formula: C53 H81 B F4 P2 Ru
• Calculated formula: C53 H81 B F4 P2 Ru
• SMILES: [Ru]12345(=Pc6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)([P](C6CCCCC6)(C6CCCCC6)C6CCCCC6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C.c1(ccccc1)C.[B](F)(F)(F)[F-]
• 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: 10.669 ± 0.011 Å
• b: 13.778 ± 0.013 Å
• c: 18.348 ± 0.018 Å
• α: 90.854 ± 0.016°
• β: 95.22 ± 0.019°
• γ: 99.5 ± 0.02°
• Cell volume: 2648 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.381
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.2964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.756
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No