Information card for entry 2236113

Structure parameters

• Chemical name: (η^6^-Benzene)(benzyldiphenylphosphane)dichloridoruthenium(II)
• Formula: C25 H23 Cl2 P Ru
• Calculated formula: C25 H23 Cl2 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](Cc6ccccc6)(c6ccccc6)c6ccccc6)[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56
• Title of publication: (η^6^-Benzene)(benzyldiphenylphosphane)dichloridoruthenium(II)
• Authors of publication: Muller, Alfred; Davis, Wade L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1232 - m1233
• a: 16.8415 ± 0.0009 Å
• b: 14.1497 ± 0.0007 Å
• c: 18.6919 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4454.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes