Information card for entry 7715277

Structure parameters

• Formula: C34 H37 Cl4 N O Ru
• Calculated formula: C34 H37 Cl4 N O Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(C(C2=CC3c4c(C12c1c3cccc1)cccc4)(C)C)C(C)C.ClCCl
• 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: 11.759 ± 0.002 Å
• b: 16.076 ± 0.003 Å
• c: 18.341 ± 0.003 Å
• α: 110.149 ± 0.006°
• β: 96.057 ± 0.006°
• γ: 90.84 ± 0.006°
• Cell volume: 3231.9 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No