Information card for entry 4350107

Structure parameters

• Chemical name: Tris[tris(2-pyridyl)phosphine)thiocyanato-silver(I)]
• Formula: C46 H36 Ag N10 P3 S
• Calculated formula: C46 H36 Ag N10 P3 S
• SMILES: [Ag](SC#N)([P](c1ncccc1)(c1ncccc1)c1ncccc1)([P](c1ncccc1)(c1ncccc1)c1ncccc1)[P](c1ncccc1)(c1ccccn1)c1ncccc1
• Title of publication: Sky-blue thermally activated delayed fluorescence (TADF) based on Ag(i) complexes: strong solvation-induced emission enhancement
• Authors of publication: Artem'ev, Alexander V.; Shafikov, Marsel Z.; Schinabeck, Alexander; Antonova, Olga V.; Berezin, Alexey S.; Bagryanskaya, Irina Yu.; Plusnin, Pavel E.; Yersin, Hartmut
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 3168
• a: 10.8909 ± 0.0002 Å
• b: 15.2773 ± 0.0004 Å
• c: 26.0826 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4339.72 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No