Information card for entry 7715275

Structure parameters

• Formula: C39 H39 Cl2 N O Ru
• Calculated formula: C39 H39 Cl2 N O Ru
• 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: 19.3116 ± 0.0015 Å
• b: 24.5754 ± 0.0019 Å
• c: 16.7833 ± 0.0011 Å
• α: 90°
• β: 106.051 ± 0.002°
• γ: 90°
• Cell volume: 7654.7 ± 1 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: 0.1074
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No