Information card for entry 4088612

Structure parameters

• Formula: C24 H31 N3 O4 Ru
• Calculated formula: C24 H31 N3 O4 Ru
• SMILES: c12c3c(cc(c1CN1C(N(C=C1)C(C)C)=[Ru]12([O]=C(C)O1)(C#[O])[N]1=C3OC[C@@H]1C(C)C)C)C
• Title of publication: Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction
• Authors of publication: Ito, Jun-ichi; Sugino, Kanae; Matsushima, Satoru; Sakaguchi, Hiroki; Iwata, Hiroshi; Ishihara, Takahiro; Nishiyama, Hisao
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1885
• a: 10.0305 ± 0.0005 Å
• b: 12.0179 ± 0.0007 Å
• c: 19.1095 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2303.6 ± 0.2 ų
• Cell temperature: 93 ± 0.2 K
• Ambient diffraction temperature: 93 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0199
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No