Information card for entry 8000511

Structure parameters

• Formula: C16 H36 Cl2 Cu N
• Calculated formula: C16 H36 Cl2 Cu N
• Title of publication: Water-Stable Zero-Dimensional (C4H9)4NCuCl2 Single Crystal with Highly Efficient Broadband Green Emission
• Authors of publication: Peng, Hui; Wang, Xinxin; Tian, Ye; Dong, Tiantian; Xiao, Yonghao; Huang, Tao; Guo, Yongchang; Wang, Jianping; Zou, Bingsuo
• Journal of publication: The Journal of Physical Chemistry Letters
• Year of publication: 2021
• Pages of publication: 6639 - 6647
• a: 13.0039 ± 0.0003 Å
• b: 9.7799 ± 0.0002 Å
• c: 15.7239 ± 0.0004 Å
• α: 90°
• β: 92.691 ± 0.002°
• γ: 90°
• Cell volume: 1997.51 ± 0.08 ų
• Cell temperature: 170.01 ± 0.1 K
• Ambient diffraction temperature: 170.01 ± 0.1 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: 0.024
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No