Information card for entry 4129273

Structure parameters

• Formula: C36 H32 Cu2 I2 N2 P2
• Calculated formula: C36 H32 Cu2 I2 N2 P2
• SMILES: I[Cu]12[Cu](I)([P](c3[n]2c(ccc3)C)(c2ccccc2)c2ccccc2)[n]2c([P]1(c1ccccc1)c1ccccc1)cccc2C
• 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: 17.7467 ± 0.0005 Å
• b: 10.0959 ± 0.0002 Å
• c: 43.4589 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7786.5 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No