Information card for entry 1544219

Structure parameters

• Formula: C22 H22 Cl5 F5 N2 Ru
• Calculated formula: C22 H22 Cl5 F5 N2 Ru
• SMILES: [Ru]12345(Cl)(Cl)(=C6N(C)C=CN6Cc6c(F)c(F)c(F)c(F)c6F)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C.ClC(Cl)Cl
• Title of publication: Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation
• Authors of publication: Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 22
• Pages of publication: 8024
• a: 15.969 ± 0.0004 Å
• b: 10.6225 ± 0.0004 Å
• c: 15.6395 ± 0.0005 Å
• α: 90°
• β: 91.922 ± 0.003°
• γ: 90°
• Cell volume: 2651.45 ± 0.15 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: 0.0463
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No