Information card for entry 4516190

Structure parameters

• Formula: C98 H104 Ir2 N10 O7
• Calculated formula: C98 H106 Ir2 N10 O7
• Title of publication: Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.
• Authors of publication: Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 2673 - 2682
• a: 19.025 ± 0.011 Å
• b: 9.09 ± 0.005 Å
• c: 25.534 ± 0.013 Å
• α: 90°
• β: 96.237 ± 0.013°
• γ: 90°
• Cell volume: 4390 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No