Information card for entry 7049637

Structure parameters

• Formula: C57 H51 Ir N6 O6
• Calculated formula: C57 H51 Ir N6 O6
• Title of publication: Bipyridine-based iridium(iii) triplet emitters for organic light-emitting diodes (OLEDs): application and impact of phenyl substitution at the 5'-position of the N-coordinating pyridine ring.
• Authors of publication: Zaen, Rena; Kim, Myeongbee; Park, Ki-Min; Lee, Kyung Hyung; Lee, Jun Yeob; Kang, Youngjin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 26
• Pages of publication: 9734 - 9743
• a: 13.3302 ± 0.0002 Å
• b: 21.8273 ± 0.0003 Å
• c: 17.6527 ± 0.0002 Å
• α: 90°
• β: 107.738 ± 0.0007°
• γ: 90°
• Cell volume: 4892.09 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No