Information card for entry 4129272

Structure parameters

• Formula: C38 H36 Cl6 Cu2 N2 P2
• Calculated formula: C38 H36 Cl6 Cu2 N2 P2
• SMILES: c12cccc(C)[n]1[Cu]([P](c1cccc(C)[n]1[Cu]([P]2(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.
• Authors of publication: Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 1
• Pages of publication: 399 - 404
• a: 8.5759 ± 0.0012 Å
• b: 10.6357 ± 0.0014 Å
• c: 12.1368 ± 0.0017 Å
• α: 105.6 ± 0.004°
• β: 103.735 ± 0.004°
• γ: 101.856 ± 0.004°
• Cell volume: 991.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0421
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No