Information card for entry 1520214

Structure parameters

• Formula: C42 H48 B9 Cu N2 O P2
• Calculated formula: C42 H48 B9 Cu N2 O P2
• SMILES: [Cu]12([P]([C]345[C]67([P]1(c1ccccc1)c1ccccc1)[BH]18[BH2]9%10[BH]%113[BH]3%124[BH]49%11[BH]91%10[BH]168[BH]573[BH]%12491)(c1ccccc1)c1ccccc1)[n]1cccc3c1c1[n]2cccc1cc3.O(CC)CC
• Title of publication: Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices
• Authors of publication: Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4623
• a: 10.828 ± 0.005 Å
• b: 13.677 ± 0.005 Å
• c: 14.95 ± 0.007 Å
• α: 90.64 ± 0.02°
• β: 106.555 ± 0.018°
• γ: 95.534 ± 0.017°
• Cell volume: 2110.6 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No