Information card for entry 7014578

Structure parameters

• Formula: C62 H54 Ir N4 P2
• Calculated formula: C62 H54 Ir N4 P2
• Title of publication: Heteroleptic Ir(III) complexes containing both azolate chromophoric chelate and diphenylphosphinoaryl cyclometalates; reactivities, electronic properties and applications.
• Authors of publication: Lin, Chen-Huey; Chi, Yun; Chung, Min-Wen; Chen, Yi-Ju; Wang, Kang-Wei; Lee, Gene-Hsiang; Chou, Pi-Tai; Hung, Wen-Yi; Chiu, Hao-Chih
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 5
• Pages of publication: 1132 - 1143
• a: 23.3005 ± 0.0005 Å
• b: 12.3608 ± 0.0003 Å
• c: 33.9148 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9767.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No