Information card for entry 7240739

Structure parameters

• Formula: C54.33 H50.66 Cl4.66 Cu F6 N2 O P3
• Calculated formula: C52 H46 Cu F6 N2 O P3
• SMILES: [Cu]12([P](c3ccccc3)(c3cccc4c3Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3C4(C)C)c1ccccc1)[n]1c(cc(C)c(c1C)C)c1[n]2cccc1.[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: 11.8055 ± 0.0003 Å
• b: 15.0529 ± 0.0004 Å
• c: 18.6132 ± 0.0005 Å
• α: 113.589 ± 0.002°
• β: 92.96 ± 0.002°
• γ: 108.444 ± 0.002°
• Cell volume: 2814.51 ± 0.15 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections: 0.3222
• Weighted residual factors for significantly intense reflections: 0.2929
• Weighted residual factors for all reflections included in the refinement: 0.3106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0878
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No