Information card for entry 7226199

Structure parameters

• Formula: C54 H65 Cl2 N2 O P Ru
• Calculated formula: C54 H65 Cl2 N2 O P Ru
• Title of publication: Synthesis and catalytic activity of ruthenium indenylidene complexes bearing unsymmetrical NHC containing a heteroaromatic moiety
• Authors of publication: Smoleń, Michał; Kosnik, Wioletta; Loska, Rafał; Gajda, Roman; Malinska, Maura; Wozniak, Krzysztof; Grela, Karol
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 32.4848 ± 0.0012 Å
• b: 13.6107 ± 0.0003 Å
• c: 24.3944 ± 0.0007 Å
• α: 90°
• β: 109.926 ± 0.004°
• γ: 90°
• Cell volume: 10140.1 ± 0.6 ų
• Cell temperature: 89.9 ± 0.5 K
• Ambient diffraction temperature: 89.9 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No