Information card for entry 4324849

Structure parameters

• Formula: C51 H59 F2 Ir N4 O4
• Calculated formula: C51 H59 F2 Ir N4 O4
• Title of publication: Unusual Dinuclear and Mononuclear Cyclometalated Iridium Complexes of 2,5-Diaryl-1,3,4-oxadiazole Derivatives
• Authors of publication: Yonghao Zheng; Andrei S. Batsanov; Martin R. Bryce
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3354 - 3362
• a: 21.6433 ± 0.0013 Å
• b: 25.9737 ± 0.0015 Å
• c: 17.6713 ± 0.0011 Å
• α: 90°
• β: 110.653 ± 0.006°
• γ: 90°
• Cell volume: 9295.6 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No