Information card for entry 1575004

Structure parameters

• Formula: C27 H22 Cl N5 O Ru
• Calculated formula: C27 H22 Cl N5 O Ru
• 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: 9.4383 ± 0.0004 Å
• b: 15.9847 ± 0.0007 Å
• c: 18.7749 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2832.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No