Information card for entry 7226196

Structure parameters

• Formula: C50.5 H64 Cl3 N2 P Ru S
• Calculated formula: C50.5 H64 Cl3 N2 P Ru S
• 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: 31.4399 ± 0.0009 Å
• b: 14.584 ± 0.0005 Å
• c: 24.243 ± 0.0007 Å
• α: 90°
• β: 112.519 ± 0.003°
• γ: 90°
• Cell volume: 10268.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No