Information card for entry 7233081

Structure parameters

• Formula: C38.39 H40.78 Cl2.78 F10 Ir N8 P
• Calculated formula: C38.39 H40.78 Cl2.78 F10 Ir N8 P
• Title of publication: A deep-blue emitting charged bis-cyclometallated iridium(III) complex for light-emitting electrochemical cells
• Authors of publication: Sebastian B. Meier; Wiebke Sarfert; Jose M. Junquera-Hernandez; Manuel Delgado; Daniel Tordera; Enrique Orti; Henk J. Bolink; Florian Kessler; Rosario Scopelliti; Michael Gratzel; M. Khaja Nazeeruddind; Etienne Baranoff
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 58 - 68
• a: 11.4876 ± 0.0011 Å
• b: 19.033 ± 0.003 Å
• c: 21.883 ± 0.003 Å
• α: 78.208 ± 0.012°
• β: 88.161 ± 0.01°
• γ: 79.175 ± 0.011°
• Cell volume: 4600.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No