Information card for entry 7111904

Structure parameters

• Formula: C48 H53 Cu P2 S
• Calculated formula: C48 H53 Cu P2 S
• SMILES: [Cu]1(Sc2ccccc2)[P](c2ccccc2[P]1(c1c(cccc1)C(C)C)c1c(cccc1)C(C)C)(c1c(cccc1)C(C)C)c1c(cccc1)C(C)C
• Title of publication: Highly efficient blue-green delayed fluorescence from copper(I) thiolate complexes: luminescence color alteration by orientation change of the aryl ring
• Authors of publication: Masahisa Osawa
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1801
• a: 13.8491 ± 0.0001 Å
• b: 21.0479 ± 0.0002 Å
• c: 14.1578 ± 0.0001 Å
• α: 90°
• β: 91.5815 ± 0.0006°
• γ: 90°
• Cell volume: 4125.35 ± 0.06 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No