Information card for entry 7233829

Structure parameters

• Formula: C42 H30 F6 Ir N4 P
• Calculated formula: C42 H30 F6 Ir N4 P
• Title of publication: Bright and stable light-emitting electrochemical cells based on an intramolecularly pi-stacked, 2-naphthyl-substituted iridium complex
• Authors of publication: Gabriel E. Schneider; Antonio Pertegas; Edwin C. Constable; Catherine E. Housecroft; Nik Hostettler; Collin D. Morris; Jennifer A. Zampese; Henk J. Bolink; Jose M. Junquera-Hernandez; Enrique Orti; Michele Sessolo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 7047 - 7055
• a: 23.8655 ± 0.001 Å
• b: 34.2298 ± 0.001 Å
• c: 17.5645 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14348.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No