Information card for entry 4085679

Structure parameters

• Formula: C21 H25 Cl2 N2 O2 Ru
• Calculated formula: C21 H25 Cl2 N2 O2 Ru
• SMILES: [c]123[c]4([cH]5[c]6([cH]7[c]1(C)[Ru]34567(=C1N(C2)c2c(cccc2)N1CC(OC)OC)(Cl)Cl)C)C
• Title of publication: N-Alkylation and N,C-Dialkylation of Amines with Alcohols in the Presence of Ruthenium Catalysts with Chelating N-Heterocyclic Carbene Ligands
• Authors of publication: Şahin, Zeynel; Gürbüz, Nevin; Özdemir, İsmail; Şahin, Onur; Büyükgüngör, Orhan; Achard, Mathieu; Bruneau, Christian
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2296
• a: 31.0243 ± 0.0019 Å
• b: 9.7748 ± 0.0004 Å
• c: 15.0183 ± 0.0009 Å
• α: 90°
• β: 108.024 ± 0.005°
• γ: 90°
• Cell volume: 4330.9 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No