Information card for entry 7233872

Structure parameters

• Formula: C10 H12 F3 N3 O Si0.5
• Calculated formula: C10 H12 F3 N3 O Si0.5
• Title of publication: Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts
• Authors of publication: Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 8285 - 8294
• a: 7.1604 ± 0.001 Å
• b: 9.0853 ± 0.0005 Å
• c: 9.8694 ± 0.0006 Å
• α: 117.066 ± 0.002°
• β: 100.294 ± 0.003°
• γ: 98.373 ± 0.003°
• Cell volume: 543.33 ± 0.09 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No