Information card for entry 2231704

Structure parameters

• Chemical name: Bis[3,5-difluoro-2-(4-methylpyridin-2-yl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>](picolinato-κ^2^<i>N</i>,<i>O</i>)iridium(III) chloroform monosolvate
• Formula: C31 H21 Cl3 F4 Ir N3 O2
• Calculated formula: C31 H21 Cl3 F4 Ir N3 O2
• SMILES: [Ir]123([n]4ccc(cc4c4c1cc(cc4F)F)C)([n]1ccc(cc1c1c2cc(cc1F)F)C)[n]1ccccc1C(=O)O3.C(Cl)(Cl)Cl
• Title of publication: Bis[3,5-difluoro-2-(4-methylpyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>](picolinato-κ^2^<i>N</i>,<i>O</i>)iridium(III) chloroform monosolvate
• Authors of publication: Kim, Young-Inn; Seo, Hoe-Joo; Yun, Seong-Jae; Song, Young-Kwang; Kim, In-Chan; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1199 - m1200
• a: 13.421 ± 0.002 Å
• b: 15.02 ± 0.005 Å
• c: 16.291 ± 0.005 Å
• α: 85.61 ± 0.04°
• β: 68.85 ± 0.05°
• γ: 89.26 ± 0.03°
• Cell volume: 3053.4 ± 1.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes