Information card for entry 7715276

Structure parameters

• Formula: C39 H38 Cl2 N2 O3 Ru
• Calculated formula: C39 H38 Cl2 N2 O3 Ru
• SMILES: [Ru]1(Cl)(Cl)(=Cc2cc(ccc2[O]1C(C)C)N(=O)=O)=C1C23c4ccccc4C(c4ccccc24)C=C3C(C)(C)N1c1c(cc(cc1C)C)C
• Title of publication: Cyclic (amino)(barrelene)carbene Ru-complexes: synthesis and reactivity in olefin metathesis.
• Authors of publication: Talcik, Jakub; Serrato, Melinda R.; Del Vecchio, Antonio; Colombel-Rouen, Sophie; Morvan, Jennifer; Roisnel, Thierry; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy; Mauduit, Marc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5346 - 5350
• a: 17.4523 ± 0.0005 Å
• b: 18.7939 ± 0.0004 Å
• c: 20.0698 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6582.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0267
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No