Information card for entry 4305309

Structure parameters

• Formula: C80 H86.5 Al Cl2 F6 Ir N6 O3.75 P
• Calculated formula: C80 H86.5 Al Cl2 F6 Ir N6 O3.75 P
• Title of publication: A Novel Solution-Processible Heterodinuclear AlIII/IrIII Complex for Host-Dopant Assembly OLEDs
• Authors of publication: Jung Oh Huh; Min Hyung Lee; Hyosook Jang; Kyu Young Hwang; Jong Soon Lee; Se Hun Kim; Youngkyu Do
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6566 - 6568
• a: 28.329 ± 0.004 Å
• b: 28.329 ± 0.004 Å
• c: 21.824 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17514 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2271
• Weighted residual factors for all reflections included in the refinement: 0.2563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No