Information card for entry 7226200

Structure parameters

• Formula: C27 H32 Cl2 N2 O Ru S
• Calculated formula: C27 H32 Cl2 N2 O 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: 10.5766 ± 0.0002 Å
• b: 15.0612 ± 0.0003 Å
• c: 34.1951 ± 0.0006 Å
• α: 85.6667 ± 0.0014°
• β: 88.7614 ± 0.0016°
• γ: 89.677 ± 0.0017°
• Cell volume: 5430.27 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No