Information card for entry 7240744

Structure parameters

• Formula: C55 H57 Cu F6 N2 O2.5 P3
• Calculated formula: C49 H42 Cu F6 N2 O P3
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)[n]1c(C)c(c(cc1c1[n]2cccc1)C)C.[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: 9.7384 ± 0.0007 Å
• b: 14.1543 ± 0.001 Å
• c: 18.9271 ± 0.0013 Å
• α: 74.958 ± 0.002°
• β: 84.595 ± 0.002°
• γ: 87.789 ± 0.003°
• Cell volume: 2508.1 ± 0.3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.1501
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9723
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No