Information card for entry 1567987

Structure parameters

• Chemical name: TrzPy
• Formula: C5 H4 N4
• Calculated formula: C5 H4 N4
• 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: 3.7561 ± 0.0004 Å
• b: 10.2354 ± 0.0013 Å
• c: 14.2732 ± 0.0016 Å
• α: 97.137 ± 0.01°
• β: 96.109 ± 0.009°
• γ: 92.497 ± 0.009°
• Cell volume: 540.49 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1484
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No