Information card for entry 4514521

Structure parameters

• Formula: C12 H28 Br2 Cu N
• Calculated formula: C12 H28 Br2 Cu N
• SMILES: C(CC)[N+](CCC)(CCC)CCC.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: 8.9036 ± 0.0011 Å
• b: 7.5883 ± 0.0014 Å
• c: 13.0176 ± 0.0013 Å
• α: 90°
• β: 91.001 ± 0.01°
• γ: 90°
• Cell volume: 879.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No