Information card for entry 1520213

Structure parameters

• Formula: C46 H40 N12 O2 Zn4
• Calculated formula: C46 H40 N12 O2 Zn4
• SMILES: [Zn]123[O]45[Zn]6(n7cccc8c7[n]3cc8)[n]3c7n([Zn]4(n4cccc8c4[n]([Zn]5(n4cccc5c4[n]2cc5)n2cccc4c2[n]6cc4)cc8)[n]2c4n1cccc4cc2)cccc7cc3.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: 10.283 ± 0.002 Å
• b: 10.474 ± 0.002 Å
• c: 20.857 ± 0.004 Å
• α: 95.09 ± 0.03°
• β: 94.25 ± 0.03°
• γ: 96.25 ± 0.03°
• Cell volume: 2216.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.2773
• Weighted residual factors for all reflections included in the refinement: 0.2831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No