Information card for entry 7233869

Structure parameters

• Formula: C11 H11 Cl3 I N3
• Calculated formula: C11 H11 Cl3 I N3
• 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: 10.5575 ± 0.00013 Å
• b: 14.04189 ± 0.00018 Å
• c: 10.3887 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.1 ± 0.03 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No