Information card for entry 4514519

Structure parameters

• Formula: C16 H36 Br2 Cu N
• Calculated formula: C16 H36 Br2 Cu N
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.Br[Cu][Br-]
• 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: 13.049 ± 0.002 Å
• b: 10.2073 ± 0.0012 Å
• c: 15.993 ± 0.002 Å
• α: 90°
• β: 92.305 ± 0.015°
• γ: 90°
• Cell volume: 2128.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1091
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No