Information card for entry 4086105

Structure parameters

• Formula: C29 H31 Cl F6 O P2 Ru
• Calculated formula: C29 H31 Cl F6 O P2 Ru
• Title of publication: C‒H versus O‒H Bond Activation in Phosphino-alcohol Ligands: Synthesis of the α-Hydroxy-alkyl Ruthenium(II) Derivatives [RuCl{κ2(P,C)-Ph2PC6H4C(R)OH}(η6-arene)]
• Authors of publication: Díaz-Álvarez, Alba E.; Vidal, Cristian; Suárez, Francisco J.; Díez, Josefina; Cadierno, Victorio; Crochet, Pascale
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3670
• a: 12.5393 ± 0.0004 Å
• b: 14.864 ± 0.0005 Å
• c: 15.3966 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2869.68 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No