Information card for entry 4129274

Structure parameters

• Formula: C37 H34 Br2 Cl2 Cu2 N2 P2
• Calculated formula: C37 H34 Br2 Cl2 Cu2 N2 P2
• SMILES: Br[Cu]1[n]2c(cccc2C)[P](c2ccccc2)(c2ccccc2)[Cu]([n]2c(cccc2C)[P]1(c1ccccc1)c1ccccc1)Br.ClCCl
• 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: 9.9441 ± 0.0002 Å
• b: 9.9441 ± 0.0002 Å
• c: 64.373 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5512.7 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No