Information card for entry 1550292

Structure parameters

• Formula: C56 H68 Cl4 N4 Ru
• Calculated formula: C56 H68 Cl4 N4 Ru
• SMILES: C(Cl)Cl.[Ru](Cl)(Cl)(=C1N(C=CN1c1c(cc(cc1C)C)C)C1CCCCCCC1)(=C1N(C=CN1c1c(cc(cc1C)C)C)C1CCCCCCC1)=C1C=C(c2ccccc12)c1ccccc1
• Title of publication: Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution
• Authors of publication: DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• a: 21.792 ± 0.0005 Å
• b: 10.9906 ± 0.0002 Å
• c: 22.5146 ± 0.0005 Å
• α: 90°
• β: 107.445 ± 0.002°
• γ: 90°
• Cell volume: 5144.4 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0982
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No