Information card for entry 4106381

Structure parameters

• Formula: C35 H33 Cl4 Cu P2
• Calculated formula: C35 H33 Cl4 Cu P2
• SMILES: [Cu]1(Cl)[P](c2c(cccc2)C)(c2c(cccc2)C)c2ccccc2[P]1(c1c(cccc1)C)c1c(cccc1)C.ClC(Cl)Cl
• Title of publication: Highly Efficient Green Organic Light-Emitting Diodes Containing Luminescent Three-Coordinate Copper(I) Complexes
• Authors of publication: Masashi Hashimoto; Satoshi Igawa; Masataka Yashima; Isao Kawata; Mikio Hoshino; Masahisa Osawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10348 - 10351
• a: 9.1283 ± 0.0014 Å
• b: 13.111 ± 0.002 Å
• c: 15.352 ± 0.002 Å
• α: 110.235 ± 0.002°
• β: 97.621 ± 0.001°
• γ: 101.275 ± 0.003°
• Cell volume: 1650.2 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0668
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No