Information card for entry 8000535

Structure parameters

• Formula: C8 H6 Cu I N3 O0.5
• Calculated formula: C8 H6 Cu I N3 O0.5
• Title of publication: Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.
• Authors of publication: Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 34
• Pages of publication: 8237 - 8245
• a: 30.414 ± 0.0008 Å
• b: 4.196 ± 0.0001 Å
• c: 14.4536 ± 0.0003 Å
• α: 90°
• β: 95.248 ± 0.002°
• γ: 90°
• Cell volume: 1836.8 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0634
• 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