Information card for entry 7127147

Structure parameters

• Formula: C5 H6 Cu2 I2 N2
• Calculated formula: C5 H6 Cu2 I2 N2
• Title of publication: Negative thermal quenching of photoluminescence in a copper-organic framework emitter.
• Authors of publication: Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 80
• Pages of publication: 12057 - 12060
• a: 11.4617 ± 0.0004 Å
• b: 4.2206 ± 0.0001 Å
• c: 19.5436 ± 0.0006 Å
• α: 90°
• β: 90.441 ± 0.003°
• γ: 90°
• Cell volume: 945.4 ± 0.05 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No