Information card for entry 7041442

Structure parameters

• Formula: C41 H34 Cu I N2 O P2
• Calculated formula: C41 H34 Cu I N2 O P2
• SMILES: I[Cu]1([P](c2ccccc2)(c2ccccc2Oc2c([P]1(c1ccccc1)c1ccccc1)cccc2)c1ccccc1)[n]1ccc(N)cc1
• Title of publication: A series of pure-blue-light emitting Cu(i) complexes with thermally activated delayed fluorescence: structural, photophysical, and computational studies.
• Authors of publication: Huang, Chun-Hua; Wen, Meng; Wang, Chun-Ya; Lu, Yong-Feng; Huang, Xi-He; Li, Hao-Hong; Wu, Shu-Ting; Zhuang, Nai-Feng; Hu, Xiao-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1413 - 1419
• a: 10.506 ± 0.002 Å
• b: 11.816 ± 0.002 Å
• c: 15.379 ± 0.003 Å
• α: 94.56 ± 0.03°
• β: 91.61 ± 0.03°
• γ: 106.46 ± 0.03°
• Cell volume: 1822.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.065
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No