Information card for entry 1573582

Structure parameters

• Formula: C41 H40 Cl2 N2 O Ru S2
• Calculated formula: C41 H40 Cl2 N2 O Ru S2
• SMILES: C1(N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Ru]12(=Cc3ccccc3[O]1Cc1ccccc1)Sc1c(ccc(c1S2)Cl)Cl
• Title of publication: Modifications of substituents on the chelating oxygen atom in stereoretentive Hoveyda–Grubbs-type complexes and their influence on catalytic properties
• Authors of publication: Matveeva, Maria; Trzaskowski, Bartosz; Kajetanowicz, Anna
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 783 - 793
• a: 8.31031 ± 0.00008 Å
• b: 20.0084 ± 0.0002 Å
• c: 44.3627 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7376.45 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No