Information card for entry 1575005

Structure parameters

• Formula: C17 H15 N3 O
• Calculated formula: C17 H15 N3 O
• Title of publication: Understanding the factors governing the ammonia oxidation reaction by a mononuclear ruthenium complex
• Authors of publication: Chen, Guo; Ding, Xiao-Lv; He, Piao; Cheng, Tao; Chen, Yang; Lin, Jian; Zhang, Xi; Zhao, Shan; Qiao, Na; Yi, Xiao-Yi
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 7573 - 7578
• a: 9.4605 ± 0.0005 Å
• b: 9.5615 ± 0.0004 Å
• c: 9.9418 ± 0.0004 Å
• α: 116.535 ± 0.004°
• β: 108.263 ± 0.005°
• γ: 100.865 ± 0.004°
• Cell volume: 704.62 ± 0.08 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No