Information card for entry 4516085

Structure parameters

• Common name: (pyridine)(acetonitrile)3-Ru(II)-phenyloxazoline
• Formula: C26.67 H27 F6 N5.33 O P Ru
• Calculated formula: C26.66 H26 F6 N5.33 O P Ru
• Title of publication: Ligand Exchange Reaction on a Ru(II)-Pheox Complex as a Mechanistic Study of Catalytic Reactions.
• Authors of publication: Nakagawa, Yoko; Imokawa, Yusuke; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Chanthamath, Soda; Shibatomi, Kazutaka; Iwasa, Seiji
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 11286 - 11289
• a: 28.322 ± 0.002 Å
• b: 28.322 ± 0.002 Å
• c: 9.9011 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6878 ± 1 ų
• Cell temperature: 295.15 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No