Information card for entry 7247880

Structure parameters

• Formula: C12 H40 Br8 Cu2 N6 O2
• Calculated formula: C12 H40 Br8 Cu2 N6 O2
• Title of publication: A zero-dimensional hybrid copper(I) bromide single crystal with highly efficient green emission.
• Authors of publication: Gao, Yingui; Xu, Zhihuang; Ye, Liwang; Wang, Yuanjie; Zhuang, Xinxin
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 2472 - 2477
• a: 8.855 ± 0.0001 Å
• b: 11.8895 ± 0.0002 Å
• c: 14.0612 ± 0.0002 Å
• α: 90°
• β: 97.636 ± 0.001°
• γ: 90°
• Cell volume: 1467.26 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No