Information card for entry 7040098

Structure parameters

• Formula: C24 H24 Cl3 F6 P Ru
• Calculated formula: C24 H24 Cl3 F6 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](c6ccc(cc6)C(F)(F)F)(c6ccc(cc6)C(F)(F)F)Cl)C[C]5(C)=[CH]1CC[CH]4=[C]2(C3)C
• Title of publication: Bis(allyl)-ruthenium(iv) complexes with phosphinous acid ligands as catalysts for nitrile hydration reactions.
• Authors of publication: Tomás-Mendivil, Eder; Francos, Javier; González-Fernández, Rebeca; González-Liste, Pedro J; Borge, Javier; Cadierno, Victorio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13590 - 13603
• a: 11.1019 ± 0.0001 Å
• b: 19.5638 ± 0.0002 Å
• c: 11.8945 ± 0.0001 Å
• α: 90°
• β: 100.485 ± 0.001°
• γ: 90°
• Cell volume: 2540.29 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No