Information card for entry 7217851

Structure parameters

• Formula: C22 H15 N2 O6
• Calculated formula: C22 H15 N2 O6
• Title of publication: Molecular packing, crystal to crystal transformation, electron transfer behaviour, photochromic and fluorescent property of three hydrogen-bonded supramolecular complexes containing benzenecarboxylate donors and viologen acceptors
• Authors of publication: Chen, Hengjun; Li, Min; Zheng, Guiming; Wang, Yifang; Song, Yang; Han, Conghui; Fu, Zhiyong; Liao, Shijun; Dai, Jing-Cao
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 8.9819 ± 0.0018 Å
• b: 12.923 ± 0.003 Å
• c: 15.042 ± 0.003 Å
• α: 90°
• β: 97.4 ± 0.03°
• γ: 90°
• Cell volume: 1731.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No