Information card for entry 4516188

Structure parameters

• Formula: C112 H124 Ir2 N10 O4
• Calculated formula: C108 H123.58 Ir2 N10 O5.79
• 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: 9.0272 ± 0.0006 Å
• b: 29.178 ± 0.002 Å
• c: 18.4176 ± 0.0014 Å
• α: 90°
• β: 99.641 ± 0.002°
• γ: 90°
• Cell volume: 4782.6 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130.01 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No