Information card for entry 7017498

Structure parameters

• Formula: C41 H31 Cl2 F10 Ir N5 O4 P
• Calculated formula: C41 H31 Cl2 F10 Ir N5 O4 P
• Title of publication: Near-UV to red-emitting charged bis-cyclometallated iridium(III) complexes for light-emitting electrochemical cells.
• Authors of publication: Kessler, Florian; Costa, Rubén D; Di Censo, Davide; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Meier, Sebastian; Sarfert, Wiebke; Grätzel, Michael; Nazeeruddin, Md Khaja; Baranoff, Etienne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 180 - 191
• a: 11.384 ± 0.002 Å
• b: 13.3335 ± 0.0012 Å
• c: 16.662 ± 0.003 Å
• α: 85.227 ± 0.014°
• β: 89.374 ± 0.013°
• γ: 68.736 ± 0.008°
• Cell volume: 2348.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0293
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No