Information card for entry 7036052

Structure parameters

• Chemical name: [Ir(dph-oxd)2(pzpy)]PF6
• Formula: C37 H31 F6 Ir N9 O3 P
• Calculated formula: C39 H31 F6 Ir N7 O3 P
• Title of publication: Blue-green emitting cationic iridium complexes with 1,3,4-oxadiazole cyclometallating ligands: synthesis, photophysical and electrochemical properties, theoretical investigation and electroluminescent devices.
• Authors of publication: Wang, Zhen; He, Lei; Duan, Lian; Yan, Jun; Tang, Ruiren; Pan, Chunyue; Song, Xiangzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 15914 - 15923
• a: 17.0182 ± 0.0019 Å
• b: 10.5013 ± 0.0011 Å
• c: 22.983 ± 0.003 Å
• α: 90°
• β: 107.08 ± 0.005°
• γ: 90°
• Cell volume: 3926.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No