Information card for entry 7706795

Structure parameters

• Formula: C49 H45 B Cu F4 N3 O P2
• Calculated formula: C49 H45 B Cu F4 N3 O P2
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)[n]1c(C)cccc1c1[n]2[nH]c(c1)C(C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Bright bluish-green emitting Cu(I) complexes exhibiting efficient thermally activated delayed fluorescence.
• Authors of publication: Huang, Chun-Hua; Yang, Mingxue; Chen, Xu-Lin; Lu, Can-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 5171 - 5176
• a: 9.8241 ± 0.0004 Å
• b: 13.1611 ± 0.0005 Å
• c: 18.4228 ± 0.0006 Å
• α: 96.354 ± 0.002°
• β: 97.197 ± 0.002°
• γ: 103.994 ± 0.001°
• Cell volume: 2268.37 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 199.99 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No