Information card for entry 7232729

Structure parameters

• Formula: C57 H68 N16 O8 Zn3
• Calculated formula: C57 H68 N16 O8 Zn3
• 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: 12.456 ± 0.002 Å
• b: 13.244 ± 0.002 Å
• c: 19.423 ± 0.003 Å
• α: 90.368 ± 0.005°
• β: 96.639 ± 0.005°
• γ: 101.761 ± 0.005°
• Cell volume: 3114.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1054
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No