Information card for entry 7040570

Structure parameters

• Formula: C67 H61 Br2 Cu F6 N2 O2.5 P3
• Calculated formula: C67 H61 Br2 Cu F6 N2 O2.5 P3
• Title of publication: Peripheral halo-functionalization in [Cu(N^N)(P^P)](+) emitters: influence on the performances of light-emitting electrochemical cells.
• Authors of publication: Brunner, Fabian; Martínez-Sarti, Laura; Keller, Sarah; Pertegás, Antonio; Prescimone, Alessandro; Constable, Edwin C.; Bolink, Henk J.; Housecroft, Catherine E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 38
• Pages of publication: 15180 - 15192
• a: 10.8614 ± 0.0006 Å
• b: 17.1071 ± 0.0008 Å
• c: 18.6668 ± 0.0009 Å
• α: 76.277 ± 0.003°
• β: 85.698 ± 0.003°
• γ: 77.922 ± 0.003°
• Cell volume: 3293.7 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1727
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections: 0.3243
• Weighted residual factors for significantly intense reflections: 0.2563
• Weighted residual factors for all reflections included in the refinement: 0.3243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No