Information card for entry 4514520

Structure parameters

• Formula: C26 H60 Br6 Cu4 N2
• Calculated formula: C26 H60 Br6 Cu4 N2
• SMILES: [Br]1[Cu]2345[Br][Cu]6785[Br][Cu]5137[Br][Cu]485([Br]2)[Br]6.[N+](C)(CCCC)(CCCC)CCCC.[N+](C)(CCCC)(CCCC)CCCC
• Title of publication: Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.
• Authors of publication: Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 17513 - 17520
• a: 10.0193 ± 0.0011 Å
• b: 11.1991 ± 0.0012 Å
• c: 19.364 ± 0.002 Å
• α: 73.838 ± 0.01°
• β: 84.077 ± 0.009°
• γ: 88.098 ± 0.009°
• Cell volume: 2075.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1911
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No