Information card for entry 1567988

Structure parameters

• Chemical name: PL134
• Formula: C8 H9 N5 O2 Zn
• Calculated formula: C8 H9 N5 O2 Zn
• Title of publication: Multicolor-tunable room-temperature afterglow and circularly polarized luminescence in chirality-induced coordination assemblies
• Authors of publication: Liu, Hui; Ren, Dan-Dan; Gao, Peng-Fu; Zhang, Kun; Wu, Ya-Pan; Fu, Hong-Ru; Ma, Lu-Fang
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 9.7703 ± 0.0009 Å
• b: 9.9768 ± 0.001 Å
• c: 10.6503 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1038.15 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No