Information card for entry 7205911

Structure parameters

• Formula: C69 H48 F6 Ir N6 P
• Calculated formula: C69 H48 F6 Ir N6 P
• Title of publication: Bis(diphenylamino)-9,9′-spirobifluorene functionalized Ir(iii) complex: a conceptual design en route to a three-in-one system possessing emitting core and electron and hole transport peripherals
• Authors of publication: Chen, Hsiao-Fan; Wong, Ken-Tsung; Liu, Yi-Hung; Wang, Yu; Cheng, Yi-Ming; Chung, Min-Wen; Chou, Pi-Tai; Su, Hai-Ching
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 3
• Pages of publication: 768
• a: 24.575 ± 0.003 Å
• b: 13.3527 ± 0.0012 Å
• c: 20.4212 ± 0.0018 Å
• α: 90°
• β: 105.367 ± 0.007°
• γ: 90°
• Cell volume: 6461.5 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1947
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.2521
• Weighted residual factors for all reflections included in the refinement: 0.3105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No