Information card for entry 2237022

Structure parameters

• Chemical name: Dichlorido(η^6^-<i>p</i>-cymene)(ethoxydiphenylphosphane)ruthenium(II)
• Formula: C24 H29 Cl2 O P Ru
• Calculated formula: C24 H29 Cl2 O P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](OCC)(c6ccccc6)c6ccccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• Title of publication: Dichlorido(η^6^-<i>p</i>-cymene)(ethoxydiphenylphosphane)ruthenium(II)
• Authors of publication: Knapp, Spring M. M.; Zakharov, Lev N.; Tyler, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1465
• a: 13.1818 ± 0.0007 Å
• b: 10.8481 ± 0.0006 Å
• c: 16.6888 ± 0.0009 Å
• α: 90°
• β: 95.06 ± 0.001°
• γ: 90°
• Cell volume: 2377.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes