Information card for entry 4324846

Structure parameters

• Formula: C94 H108 Cl6 F4 Ir2 N8 O4
• Calculated formula: C94 H108 Cl6 F4 Ir2 N8 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: 14.235 ± 0.0005 Å
• b: 15.2472 ± 0.0005 Å
• c: 21.7641 ± 0.0008 Å
• α: 90°
• β: 100.029 ± 0.005°
• γ: 90°
• Cell volume: 4651.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No