Information card for entry 7233868

Structure parameters

• Formula: C10 H12 I N3 O
• Calculated formula: C10 H12 I N3 O
• SMILES: [nH+]1ccccc1Nc1ncccc1.O.[I-]
• 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: 7.3741 ± 0.0005 Å
• b: 8.9009 ± 0.0006 Å
• c: 9.5009 ± 0.0006 Å
• α: 104.349 ± 0.002°
• β: 108.232 ± 0.003°
• γ: 90.833 ± 0.003°
• Cell volume: 570.94 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No