Information card for entry 4124140

Structure parameters

• Formula: C92 H76 Cu4 I4 N4 P4 S2
• Calculated formula: C92 H76 Cu4 I4 N4 P4 S2
• 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: 26.0237 ± 0.001 Å
• b: 9.3012 ± 0.0004 Å
• c: 20.2799 ± 0.0008 Å
• α: 90°
• β: 117.533 ± 0.002°
• γ: 90°
• Cell volume: 4352.8 ± 0.3 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 7
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7085 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No