Information card for entry 7240740

Structure parameters

• Formula: C51 H44 Cu F6 N2 O P3
• Calculated formula: C51 H44 Cu F6 N2 O P3
• SMILES: [Cu]12([n]3cc(C)ccc3c3ccc(C)c[n]13)[P](c1ccccc1)(c1ccccc1)c1cccc3c1Oc1c(C3(C)C)cccc1[P]2(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application
• Authors of publication: Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 38
• Pages of publication: 22631 - 22644
• a: 10.1954 ± 0.001 Å
• b: 21.104 ± 0.002 Å
• c: 10.7666 ± 0.001 Å
• α: 90°
• β: 102.835 ± 0.003°
• γ: 90°
• Cell volume: 2258.7 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for all reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.0219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0919
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No