Information card for entry 4316148

Structure parameters

• Formula: C26 H22 Cl N5 Ru
• Calculated formula: C26 H22 Cl N5 Ru
• SMILES: [Ru]123(Cl)([n]4ccccc4c4[n]1c(ccc4)c1[n]2cccc1)[n]1ccccc1c1n3c(cc1C)C
• Title of publication: New Ru(II) Complexes with Anionic and Neutral N-Donor Ligands as Epoxidation Catalysts: An Evaluation of Geometrical and Electronic Effects
• Authors of publication: Mohamed Dakkach; M. Isabel López; Isabel Romero; Montserrat Rodríguez; Ahmed Atlamsani; Teodor Parella; Xavier Fontrodona; Antoni Llobet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7072 - 7079
• a: 8.1673 ± 0.0019 Å
• b: 26.172 ± 0.006 Å
• c: 11.438 ± 0.002 Å
• α: 90°
• β: 112.627 ± 0.014°
• γ: 90°
• Cell volume: 2256.7 ± 0.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No