Information card for entry 7715279

Structure parameters

• Formula: C36 H33 Cl2 N O Ru
• Calculated formula: C36 H33 Cl2 N O Ru
• SMILES: [Ru]1(Cl)(Cl)(=Cc2ccccc2[O]1C(C)C)=C1N(c2ccccc2)C(C)(C)C2=CC3c4ccccc4C12c1ccccc31
• 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: 12.2592 ± 0.0011 Å
• b: 14.898 ± 0.0013 Å
• c: 19.906 ± 0.002 Å
• α: 90°
• β: 99.104 ± 0.004°
• γ: 90°
• Cell volume: 3589.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.043
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No