Information card for entry 7243969

Structure parameters

• Formula: C44 H49 Cl4 N3 O4 Ru S
• Calculated formula: C44 H49 Cl4 N3 O4 Ru S
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)CCOc1ccccc1NS(=O)(=O)c1ccc(cc1)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.ClCCl
• 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: 12.038 ± 0.01 Å
• b: 14.886 ± 0.012 Å
• c: 24.18 ± 0.019 Å
• α: 90°
• β: 91.36 ± 0.03°
• γ: 90°
• Cell volume: 4332 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1814
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No