Information card for entry 7232728

Structure parameters

• Formula: C13.5 H11 N4 O3 Zn
• Calculated formula: C13.5 H11 N4 O3 Zn
• Title of publication: The enhancement of the D‒A effect of an asymmetric Schiff base by introducing acetyl groups into diaminomaleonitrile: synthesis, red fluorescence and crystal structure
• Authors of publication: Wang, Ke; Su, Hao; Wang, Pengfei; Wang, Wenjie; Li, Hui
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 25
• Pages of publication: 14268
• a: 17.578 ± 0.011 Å
• b: 8.18 ± 0.005 Å
• c: 10.632 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1528.8 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No