Information card for entry 4514518

Structure parameters

• Formula: C12 H36 Br5 Cu2 N3
• Calculated formula: C12 H36 Br5 Cu2 N3
• SMILES: C[N+](C)(C)C.C[N+](C)(C)C.[Br]1[Cu](Br)(Br)[Cu]1(Br)Br.C[N+](C)(C)C
• 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: 14.2576 ± 0.0013 Å
• b: 11.3297 ± 0.001 Å
• c: 15.2584 ± 0.0014 Å
• α: 90°
• β: 94.826 ± 0.009°
• γ: 90°
• Cell volume: 2456 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• 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: 0.109
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No