Information card for entry 4073017

Structure parameters

• Common name: BzRu(CHCH)NacNacMeOTf.CH2Cl2
• Formula: C31 H35 Cl2 F3 N2 O3 Ru S
• Calculated formula: C31 H35 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: 12.238 ± 0.002 Å
• b: 11.914 ± 0.002 Å
• c: 21.771 ± 0.004 Å
• α: 90°
• β: 94.65 ± 0.03°
• γ: 90°
• Cell volume: 3163.8 ± 1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No