Information card for entry 1550400

Structure parameters

• Formula: C55 H66 Cl2 N4 Ru
• Calculated formula: C55 H66 Cl2 N4 Ru
• SMILES: [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, Gwénael; Tripoteau, Fabien; Caijo, Frédéric; Queval, Pierre; Rouen, Mathieu; Baslé, Olivier; Mauduit, Marc
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• a: 10.9047 ± 0.0004 Å
• b: 11.6314 ± 0.0005 Å
• c: 19.7689 ± 0.0009 Å
• α: 95.343 ± 0.004°
• β: 101.998 ± 0.003°
• γ: 100.664 ± 0.003°
• Cell volume: 2387.6 ± 0.18 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No