Information card for entry 7032770

Structure parameters

• Formula: C47 H38 Cu F6 N2 O P3
• Calculated formula: C47 H38 Cu F6 N2 O P3
• Title of publication: [Cu(bpy)(P^P)](+) containing light-emitting electrochemical cells: improving performance through simple substitution.
• Authors of publication: Keller, Sarah; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Prescimone, Alessandro; Longo, Giulia; Pertegás, Antonio; Sessolo, Michele; Bolink, Henk J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16593 - 16596
• a: 9.7056 ± 0.0004 Å
• b: 16.3421 ± 0.0007 Å
• c: 29.3522 ± 0.0014 Å
• α: 90°
• β: 96.439 ± 0.002°
• γ: 90°
• Cell volume: 4626.2 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0728
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No