Information card for entry 7243967

Structure parameters

• Formula: C38 H43 Cl2 N3 O3 Ru
• Calculated formula: C38 H43 Cl2 N3 O3 Ru
• SMILES: [Ru]1([O](c2c(C=1)cccc2)CCOc1ccccc1NC(=O)C)(=C1N(CCN1c1c(cc(C)cc1C)C)c1c(cc(cc1C)C)C)(Cl)Cl
• Title of publication: Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions
• Authors of publication: Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 60
• Pages of publication: 37866 - 37876
• a: 8.8611 ± 0.0004 Å
• b: 10.6837 ± 0.0005 Å
• c: 19.3949 ± 0.001 Å
• α: 74.511 ± 0.002°
• β: 87.898 ± 0.002°
• γ: 89.558 ± 0.002°
• Cell volume: 1768.22 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No