Information card for entry 8000539

Structure parameters

• Formula: C36 H28 Cu4 I4 N8 O2
• Calculated formula: C36 H28 Cu4 I4 N8 O2
• 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: 10.337 ± 0.0006 Å
• b: 13.1443 ± 0.0006 Å
• c: 15.9625 ± 0.0003 Å
• α: 91.989 ± 0.003°
• β: 101.507 ± 0.004°
• γ: 102.945 ± 0.004°
• Cell volume: 2064.09 ± 0.16 ų
• Cell temperature: 350 ± 2 K
• Ambient diffraction temperature: 350 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No