Information card for entry 2237447

Structure parameters

• Chemical name: (Pyridine-2-aldoximato-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)
• Formula: C28 H21 Ir N4 O
• Calculated formula: C28 H21 Ir N4 O
• SMILES: [Ir]123(c4c(c5[n]1cccc5)cccc4)([n]1ccccc1c1ccccc21)N(=O)=Cc1cccc[n]31
• Title of publication: (Pyridine-2-aldoximato-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)
• Authors of publication: Pal, Satyanarayan; Singh, Bimal Chandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: m159
• a: 9.414 ± 0.001 Å
• b: 14.226 ± 0.002 Å
• c: 9.551 ± 0.001 Å
• α: 90°
• β: 117.26 ± 0.007°
• γ: 90°
• Cell volume: 1137 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes