Information card for entry 7238549

Structure parameters

• Formula: C48 H35 F6 Ir N6 O0.5 P
• Calculated formula: C48 H35 F6 Ir N6 O0.5 P
• Title of publication: Efficient orange light-emitting electrochemical cells
• Authors of publication: Tordera, Daniel; Pertegás, Antonio; Shavaleev, Nail M.; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Grätzel, Michael; Nazeeruddin, Mohammad K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 36
• Pages of publication: 19264
• a: 10.7181 ± 0.0013 Å
• b: 17.865 ± 0.003 Å
• c: 41.906 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8024.1 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No