Information card for entry 7206593

Structure parameters

• Formula: C89 H78 Cl2 Cu2 F12 N4 O2 P6
• Calculated formula: C89 H76 Cl2 Cu2 F12 N4 O2 P6
• 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: 12.4818 ± 0.0015 Å
• b: 13.445 ± 0.0015 Å
• c: 15.0834 ± 0.0018 Å
• α: 86.429 ± 0.009°
• β: 67.721 ± 0.009°
• γ: 62.963 ± 0.008°
• Cell volume: 2067.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0548
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No