Information card for entry 7713757

Structure parameters

• Formula: C69 H63 Cl5 F6 N5 O P2 Ru
• Calculated formula: C69 H63 Cl5 F6 N5 O P2 Ru
• Title of publication: Pyrazole-pyridine-pyrazole (NNN) ruthenium(II) complex catalyzed acceptorless dehydrogenation of alcohols to aldehydes.
• Authors of publication: Chen, Yinyin; Cui, Tianhua; Chen, Hua; Li Zheng, Xue; Fu, Haiyan; Li, Ruixiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 11.5849 ± 0.0007 Å
• b: 13.4625 ± 0.001 Å
• c: 22.7608 ± 0.0016 Å
• α: 103.721 ± 0.003°
• β: 95.44 ± 0.002°
• γ: 101.016 ± 0.002°
• Cell volume: 3348.2 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No