Information card for entry 2238710

Structure parameters

• Chemical name: [2,6-Difluoro-3-(pyridin-2-yl-κ<i>N</i>)pyridin-4-yl-κ<i>C</i>^4^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')iridium(III)
• Formula: C25 H17 F4 Ir N4 O2
• Calculated formula: C25 H17 F4 Ir N4 O2
• SMILES: [Ir]123(OC(=CC(=[O]1)C)C)([n]1ccccc1c1c2cc(F)nc1F)[n]1ccccc1c1c3cc(F)nc1F
• Title of publication: [2,6-Difluoro-3-(pyridin-2-yl-κ<i>N</i>)pyridin-4-yl-κ<i>C</i>^4^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')iridium(III)
• Authors of publication: Luo, Kaijun; Zhang, Chenyang; Jia, Juan; Luo, Daibing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: m590
• a: 7.7126 ± 0.0002 Å
• b: 18.2039 ± 0.0005 Å
• c: 16.3534 ± 0.0004 Å
• α: 90°
• β: 99.371 ± 0.003°
• γ: 90°
• Cell volume: 2265.37 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0467
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No