Information card for entry 1516443

Structure parameters

• Formula: C48 H37 B Cu F4 N3 O P2
• Calculated formula: C48 H37 B Cu F4 N3 O P2
• SMILES: [B](F)(F)(F)[F-].[n]12[Cu]3([n]4ccccc4c1[nH]c1c2cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[P]3(c1ccccc1)c1ccccc1
• Title of publication: Realization of High-Energy Emission from [Cu(N−N)(P−P)]+Complexes for Organic Light-Emitting Diode Applications
• Authors of publication: Zhang, Liming; Li, Bin; Su, Zhongmin
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 31
• Pages of publication: 13968
• a: 11.5602 ± 0.0006 Å
• b: 15.13 ± 0.0008 Å
• c: 25.815 ± 0.0013 Å
• α: 90°
• β: 96.195 ± 0.001°
• γ: 90°
• Cell volume: 4488.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.24
• Weighted residual factors for all reflections included in the refinement: 0.2771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No