Information card for entry 4073016

Structure parameters

• Common name: BzRu(CH2CH2)NacNacMeOTf.CH2Cl2
• Formula: C31 H37 Cl2 F3 N2 O3 Ru S
• Calculated formula: C31 H37 Cl2 F3 N2 O3 Ru S
• Title of publication: Facile, Thermoreversible Cycloaddition of Small Molecules to a Ruthenium(II) Arene β-Diketiminate
• Authors of publication: Phillips, Andrew D.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1120
• a: 12.3101 ± 0.0008 Å
• b: 11.8954 ± 0.0005 Å
• c: 21.7605 ± 0.0012 Å
• α: 90°
• β: 93.802 ± 0.005°
• γ: 90°
• Cell volume: 3179.5 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No