Information card for entry 4324847

Structure parameters

• Formula: C96 H116 Cl2 Ir2 N8 O8
• Calculated formula: C96 H116 Cl2 Ir2 N8 O8
• 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: 13.55 ± 0.0013 Å
• b: 14.545 ± 0.0014 Å
• c: 23.775 ± 0.002 Å
• α: 86.78 ± 0.007°
• β: 82.395 ± 0.007°
• γ: 70.489 ± 0.006°
• Cell volume: 4377.4 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No