Information card for entry 1576517

Structure parameters

• Formula: C98 H90 Br2 Cu2 N2 P4
• Calculated formula: C98 H90 Br2 Cu2 N2 P4
• Title of publication: Suppressing nonradiative decay via molecular configuration control in Cu(i)–halide clusters enables the fabrication of highly efficient green and green-sensitized blue OLEDs
• Authors of publication: Li, Xiao; Guo, Sai; Liu, Xin; Sun, Yu-Fu; Zhang, Dong-Hai; Yang, Hui; Lu, Jia-Min; Chen, Xu-Lin
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.0201 ± 0.0007 Å
• b: 13.1886 ± 0.0008 Å
• c: 15.303 ± 0.001 Å
• α: 100.628 ± 0.003°
• β: 90.218 ± 0.003°
• γ: 106.976 ± 0.003°
• Cell volume: 2086.8 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.127
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No