Information card for entry 1564895

Structure parameters

• Formula: C42 H30 N6 O4 Os P
• Calculated formula: C42 H30 N6 O4 Os P
• SMILES: [Os]1([n]2c3ccccc3oc2c2cc(N(=O)=O)ccc2O1)([N]#CC)(C#N)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Visible Light-Induced Oxidative N-dealkylation of Alkylamines by a Luminescent Osmium(VI) Nitrido Complex
• Authors of publication: Lau, Tai-Chu; Xiang, Jing; Ming, Peng; Yi, PAN; Luo, Li-Juan; Cheng, Shun-Cheung; Jin, XinXin; Yiu, Shek-Man; Man, Wai-Lun; Ko, Chi-Chiu; LAU, Kai Chung
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 31.9083 ± 0.0016 Å
• b: 7.4874 ± 0.0003 Å
• c: 32.008 ± 0.0015 Å
• α: 90°
• β: 94.356 ± 0.003°
• γ: 90°
• Cell volume: 7624.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.731
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No