Information card for entry 7206592

Structure parameters

• Formula: C49 H38 Cl2 Cu F6 N2 O P3
• Calculated formula: C49 H38 Cl2 Cu F6 N2 O P3
• Title of publication: Copper(i) complexes for sustainable light-emitting electrochemical cells
• Authors of publication: Costa, Rubén D.; Tordera, Daniel; Ortí, Enrique; Bolink, Henk J.; Schönle, Jonas; Graber, Stefan; Housecroft, Catherine E.; Constable, Edwin C.; Zampese, Jennifer A.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 40
• Pages of publication: 16108
• a: 13.4327 ± 0.001 Å
• b: 25.218 ± 0.002 Å
• c: 13.6483 ± 0.0009 Å
• α: 90°
• β: 105.808 ± 0.005°
• γ: 90°
• Cell volume: 4448.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No