Information card for entry 7003740

Structure parameters

• Formula: C30 H24 F4 Ir N5 O3
• Calculated formula: C30 H24 F4 Ir N5 O3
• SMILES: [Ir]123([n]4n(c(cc4C)C)C(=O)N1)([n]1ccc(OC)cc1c1c(F)cc(F)cc21)[n]1ccc(OC)cc1c1c(F)cc(F)cc31
• 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: 10.6643 ± 0.001 Å
• b: 11.599 ± 0.001 Å
• c: 12.6823 ± 0.0011 Å
• α: 63.571 ± 0.001°
• β: 89.299 ± 0.002°
• γ: 89.267 ± 0.002°
• Cell volume: 1404.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No