Information card for entry 4065260

Structure parameters

• Formula: C13 H26 Cl2 N3 P Ru
• Calculated formula: C13 H26 Cl2 N3 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](N(C)C)(N(C)C)N(C)C)[cH]6[cH]2[c]5([cH]1[cH]4[cH]36)C
• Title of publication: Arene‒Ruthenium(II) Complexes Containing Inexpensive Tris(dimethylamino)phosphine: Highly Efficient Catalysts for the Selective Hydration of Nitriles into Amides
• Authors of publication: García-Álvarez, Rocío; Díez, Josefina; Crochet, Pascale; Cadierno, Victorio
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5442
• a: 7.2695 ± 0.0005 Å
• b: 11.3844 ± 0.0009 Å
• c: 21.1156 ± 0.0015 Å
• α: 90°
• β: 90.432 ± 0.007°
• γ: 90°
• Cell volume: 1747.5 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No