Information card for entry 7003739

Structure parameters

• Formula: C28 H20 F4 Ir N5 O
• Calculated formula: C28 H20 F4 Ir N5 O
• SMILES: [Ir]123([n]4n(c(cc4C)C)C(=O)N1)([n]1ccccc1c1c2cc(F)cc1F)[n]1ccccc1c1c3cc(F)cc1F
• Title of publication: Study on a set of bis-cyclometalated Ir(iii) complexes with a common ancillary ligand
• Authors of publication: Byun, Younghun; Jeon, Woo Sung; Lee, Tae-Woo; Lyu, Yi-Yeol; Chang, Seok; Kwon, Ohyun; Han, Eunsil; Kim, Heekyung; Kim, Myeongsuk; Lee, Ha-Jin; Das, Rupasree Ragini
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 35
• Pages of publication: 4732 - 4741
• a: 11.572 ± 0.002 Å
• b: 9.523 ± 0.002 Å
• c: 22.409 ± 0.005 Å
• α: 90°
• β: 96.012 ± 0.004°
• γ: 90°
• Cell volume: 2455.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.028
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No