Information card for entry 4325481

Structure parameters

• Formula: C25 H39 Cl N8 O5 Ru
• Calculated formula: C25 H39 Cl N8 O5 Ru
• SMILES: [Ru]123([n]4n(ccc4)C(n4[n]1ccc4)n1[n]2ccc1)(Cl)[N]1=C(OC[C@@H]1C(C)C)C(=O)N3[C@H](CO)C(C)C.O.O=C(C)C
• Title of publication: New Ru(II) Complexes Containing Oxazoline Ligands As Epoxidation Catalysts. Influence of the Substituents on the Catalytic Performance
• Authors of publication: Isabel Serrano; M. Isabel López; Íngrid Ferrer; Albert Poater; Teodor Parella; Xavier Fontrodona; Miquel Solà; Antoni Llobet; Montserrat Rodríguez; Isabel Romero
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6044 - 6054
• a: 7.7404 ± 0.0018 Å
• b: 17.076 ± 0.004 Å
• c: 11.628 ± 0.003 Å
• α: 90°
• β: 97.103 ± 0.004°
• γ: 90°
• Cell volume: 1525.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No