Information card for entry 7003738

Structure parameters

• Formula: C30 H18 F4 Ir N7 O
• Calculated formula: C30 H18 F4 Ir N7 O
• SMILES: [Ir]123([n]4n(c(cc4C)C)C(=O)N1)([n]1ccccc1c1c(F)c(c(F)cc21)C#N)[n]1ccccc1c1c(F)c(c(F)cc31)C#N
• 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: 21.982 ± 0.011 Å
• b: 30.27 ± 0.015 Å
• c: 14.317 ± 0.007 Å
• α: 90°
• β: 127.848 ± 0.007°
• γ: 90°
• Cell volume: 7522 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2241
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No