Information card for entry 2200798

Structure parameters

• Formula: C18 H21 Cl2 P Ru
• Calculated formula: C18 H21 Cl2 P Ru
• SMILES: [Ru]([cH]12)([cH]13)([cH]21)([cH]12)([cH]21)([cH]13)(Cl)(Cl)[P](c1ccccc1)(CC=C)CC=C
• Title of publication: (η^6^-Benzene)dichloro(diallylphenylphosphine)ruthenium(II), the first structurally characterized complex with the diallylphosphine ligand
• Authors of publication: Jensen, Svend B.; Spicer, Mark D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o978 - o979
• a: 7.128 ± 0.005 Å
• b: 9.995 ± 0.005 Å
• c: 25.55 ± 0.02 Å
• α: 90°
• β: 94.26 ± 0.06°
• γ: 90°
• Cell volume: 1815 ± 2 ų
• Cell temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.051
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No