Information card for entry 7115690

Structure parameters

• Formula: C180 H132 K2 O26 Yb2
• Calculated formula: C180 H132 K2 O26 Yb2
• SMILES: [K+].O1[Yb]234([O]=C(C(=C(c5ccccc5)O2)C(=O)c2ccccc2)c2ccccc2)([O]=C(C(=C(c2ccccc2)O3)C(=O)c2ccccc2)c2ccccc2)([O]=C(C(C(=O)c2ccccc2)=C1c1ccccc1)c1ccccc1)[O]=C(C(C(=O)c1ccccc1)=C(c1ccccc1)O4)c1ccccc1.C(O)C
• Title of publication: Lanthanoid beta-triketonates: a new class of highly efficient NIR emitters for bright NIR-OLEDs
• Authors of publication: Brodie L. Reid; Stefano Stagni; Joanna M. Malicka; Massimo Cocchi; Garry S. Hanan; Mark I. Ogden; Massimiliano Massi
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11580
• a: 14.1075 ± 0.0012 Å
• b: 14.4693 ± 0.0012 Å
• c: 17.9695 ± 0.0014 Å
• α: 102.772 ± 0.004°
• β: 90.083 ± 0.004°
• γ: 91.038 ± 0.004°
• Cell volume: 3576.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No