Information card for entry 7240741

Structure parameters

• Formula: C50 H44 Cu F6 N2 O P3
• Calculated formula: C50 H44 Cu F6 N2 O P3
• SMILES: [Cu]12([n]3ccccc3c3cccc([n]13)C(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[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: 12.3597 ± 0.0008 Å
• b: 16.6878 ± 0.0011 Å
• c: 21.4238 ± 0.0014 Å
• α: 90°
• β: 99.561 ± 0.002°
• γ: 90°
• Cell volume: 4357.4 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• 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: 0.048
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No