Information card for entry 2240138

Structure parameters

• Chemical name: Bis[2-<i>tert</i>-butoxy-6-fluoro-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: C33 H35 F2 Ir N4 O4
• Calculated formula: C33 H35 F2 Ir N4 O4
• SMILES: c12cc(F)nc(c1c1cccc[n]1[Ir]132(OC(=CC(=[O]3)C)C)c2cc(F)nc(c2c2cccc[n]12)OC(C)(C)C)OC(C)(C)C
• Title of publication: Crystal structure of bis[2-<i>tert</i>-butoxy-6-fluoro-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: Park, Ki-Min; Kang, Youngjin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 427 - 429
• a: 16.9404 ± 0.0012 Å
• b: 10.7783 ± 0.0007 Å
• c: 17.2561 ± 0.0011 Å
• α: 90°
• β: 100.001 ± 0.001°
• γ: 90°
• Cell volume: 3102.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0183
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes