Information card for entry 4124144

Structure parameters

• Formula: C20 H16 Cl4 Cu2 I2 N4
• Calculated formula: C20 H16 Cl4 Cu2 I2 N4
• SMILES: c1c(Cl)ccc[n]1[Cu]12([I][Cu]2([I]1)([n]1cc(ccc1)Cl)[n]1cc(ccc1)Cl)[n]1cc(ccc1)Cl
• Title of publication: A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.
• Authors of publication: Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 29
• Pages of publication: 9400 - 9408
• a: 7.802 ± 0.0004 Å
• b: 8.6628 ± 0.0004 Å
• c: 9.4711 ± 0.0005 Å
• α: 90.919 ± 0.002°
• β: 94.251 ± 0.003°
• γ: 102.751 ± 0.002°
• Cell volume: 622.28 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No