Information card for entry 4326044

Structure parameters

• Formula: C48 H40 B Cu N8 O P2
• Calculated formula: C48 H40 B Cu N8 O P2
• SMILES: [Cu]12([P](c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1n(ccc1)[B](n1[n]2ccc1)(n1nccc1)n1nccc1
• Title of publication: Blue-Light Emission of Cu(I) Complexes and Singlet Harvesting
• Authors of publication: Rafał Czerwieniec; Jiangbo Yu; Hartmut Yersin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8293 - 8301
• a: 11.9642 ± 0.0003 Å
• b: 13.7264 ± 0.0004 Å
• c: 15.7278 ± 0.0005 Å
• α: 105.349 ± 0.003°
• β: 98.594 ± 0.002°
• γ: 103.665 ± 0.003°
• Cell volume: 2357.53 ± 0.13 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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: 0.0397
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No