Information card for entry 1556368

Structure parameters

• Formula: C24.5 H25 Cl3 F12 N5 O P2 Ru
• Calculated formula: C24.5 H25 Cl3 F12 N5 O P2 Ru
• Title of publication: Mechanistic insight into catalytic oxidations of organic compounds by ruthenium(iv)-oxo complexes with pyridylamine ligands
• Authors of publication: Ohzu, Shingo; Ishizuka, Tomoya; Hirai, Yuichirou; Jiang, Hua; Sakaguchi, Miyuki; Ogura, Takashi; Fukuzumi, Shunichi; Kojima, Takahiko
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 3421
• a: 11.3277 ± 0.0018 Å
• b: 18.234 ± 0.003 Å
• c: 15.932 ± 0.003 Å
• α: 90°
• β: 97.573 ± 0.002°
• γ: 90°
• Cell volume: 3262 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No