Information card for entry 4066780

Structure parameters

• Formula: C33 H40 Cl2 N P Ru
• Calculated formula: C33 H40 Cl2 N P Ru
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]23456(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)c1cccc(c1)CNC(C)(C)C)C(C)C)C
• Title of publication: Arene−Ruthenium(II) Complexes Containing Amino−Phosphine Ligands as Catalysts for Nitrile Hydration Reactions
• Authors of publication: García-Álvarez, Rocío; Díez, Josefina; Crochet, Pascale; Cadierno, Victorio
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3955
• a: 9.8513 ± 0.0003 Å
• b: 10.3852 ± 0.0003 Å
• c: 15.9639 ± 0.0004 Å
• α: 89.619 ± 0.002°
• β: 76.419 ± 0.002°
• γ: 79.882 ± 0.002°
• Cell volume: 1561.85 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No