Information card for entry 2011461

Structure parameters

• Chemical name: (n-butyldiphenylphosphine)dichloro(η^6^-p-cymeme)ruthenium(II)
• Formula: C26 H33 Cl2 P Ru
• Calculated formula: C26 H33 Cl2 P Ru
• SMILES: [Ru](Cl)(Cl)([P](CCCC)(c1ccccc1)c1ccccc1)([cH]12)([cH]13)([c]21C)([cH]12)([cH]21)[c]13C(C)C
• Title of publication: (<i>n</i>-Butyldiphenylphosphine)dichloro(η^6^-<i>p</i>-cymeme)ruthenium(II)
• Authors of publication: Bruno, Giuseppe; Panzalorto, Manuela; Nicoló, Francesco; Arena, Carmela Grazia; Cardiano, Paola
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e429 - e429
• a: 10.574 ± 0.003 Å
• b: 12.983 ± 0.004 Å
• c: 19.239 ± 0.006 Å
• α: 90°
• β: 103.99 ± 0.02°
• γ: 90°
• Cell volume: 2562.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes