Information card for entry 4106383

Structure parameters

• Formula: C34 H32 Cu I P2
• Calculated formula: C34 H32 Cu I P2
• SMILES: I[Cu]1[P](c2c(cccc2)C)(c2c(cccc2)C)c2ccccc2[P]1(c1c(cccc1)C)c1c(cccc1)C
• 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: 15.1308 ± 0.0016 Å
• b: 11.0116 ± 0.001 Å
• c: 18.3409 ± 0.0018 Å
• α: 90°
• β: 102.835 ± 0.002°
• γ: 90°
• Cell volume: 2979.5 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.0422
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No