Information card for entry 4503903

Structure parameters

• Chemical name: Bis(2,5-di-p-tolyl-1,3,4-oxadiazolyl-C2,N)iridium(O,O'-diethyldithiophosphate)
• Formula: C36 H36 Ir N4 O4 P S2
• Calculated formula: C36 H36 Ir N4 O4 P S2
• Title of publication: Supramolecular Architectures, Photophysics, and Electroluminescence of 1,3,4-Oxadiazole-Based Iridium(III) Complexes: From μ-Dichloro Bridged Dimer to Mononuclear Complexes
• Authors of publication: Chen, Lianqing; Yang, Chuluo; Li, Ming; Qin, Jingui; Gao, Jia; You, Han; Ma, Dongge
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 39
• a: 11.943 ± 0.002 Å
• b: 11.978 ± 0.002 Å
• c: 13.793 ± 0.003 Å
• α: 70.35 ± 0.03°
• β: 75.84 ± 0.03°
• γ: 89.6 ± 0.03°
• Cell volume: 1795.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No