Information card for entry 2210894

Structure parameters

• Chemical name: (η^6^-<i>p</i>-Cymene)(triphenylphosphine)ruthenium(II) dichloride
• Formula: C28 H29 Cl2 P Ru
• Calculated formula: C28 H29 Cl2 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Dichloro(η^6^-<i>p</i>-cymene)(triphenylphosphine)ruthenium(II)
• Authors of publication: Elsegood, Mark R.J.; Smith, Martin B.; Sanchez-Ballester, Noelia M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2838 - m2840
• a: 15.4858 ± 0.0008 Å
• b: 9.1887 ± 0.0005 Å
• c: 35.0089 ± 0.0019 Å
• α: 90°
• β: 96.568 ± 0.002°
• γ: 90°
• Cell volume: 4948.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0418
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes