Information card for entry 4341976

Structure parameters

• Formula: C26 H19 N5
• Calculated formula: C26 H19 N5
• SMILES: n1c(cc(cc1c1ncccc1)c1nc(ccc1)c1nccc(c1)C)c1ncccc1
• Title of publication: Highly efficient and selective photocatalytic oxidation of sulfide by a chromophore-catalyst dyad of ruthenium-based complexes.
• Authors of publication: Li, Ting-Ting; Li, Fu-Min; Zhao, Wei-Liang; Tian, Yong-Hua; Chen, Yong; Cai, Rong; Fu, Wen-Fu
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 183 - 191
• a: 8.2624 ± 0.0017 Å
• b: 14.736 ± 0.003 Å
• c: 16.78 ± 0.003 Å
• α: 90°
• β: 94.78 ± 0.03°
• γ: 90°
• Cell volume: 2035.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2272
• Weighted residual factors for all reflections included in the refinement: 0.2571
• 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: No
• Has Fobs: No