Information card for entry 7233114

Structure parameters

• Formula: C49 H42 B Cl2 Cu N4 P2
• Calculated formula: C49 H42 B Cl2 Cu N4 P2
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3[P]1(c1ccccc1)c1ccccc1)[n]1n(ccc1)[B](n1[n]2ccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Highly efficient green organic light-emitting diodes containing luminescent tetrahedral copper(I) complexes
• Authors of publication: Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Masataka Yashima; Mikio Hoshinoa; Masahisa Osawa
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 542 - 551
• a: 9.6512 ± 0.0008 Å
• b: 22.813 ± 0.002 Å
• c: 19.5335 ± 0.0017 Å
• α: 90°
• β: 93.96 ± 0.002°
• γ: 90°
• Cell volume: 4290.5 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No