Information card for entry 2241695

Structure parameters

• Chemical name: {(<i>E</i>)-2-[(Phenylimino)methyl]phenolato-κ^2^<i>N</i>,<i>O</i>}bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III) dichloromethane monosolvate
• Formula: C36 H28 Cl2 Ir N3 O
• Calculated formula: C36 H28 Cl2 Ir N3 O
• Title of publication: Crystal structure of {(<i>E</i>)-2-[(phenylimino)methyl]phenolato-κ^2^<i>N</i>,<i>O</i>}bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III) dichloromethane monosolvate
• Authors of publication: Goo, Moo-Sung; Park, Ki-Min; Kim, Hee-Joon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 6
• Pages of publication: 838 - 840
• a: 11.8318 ± 0.0002 Å
• b: 12.0638 ± 0.0004 Å
• c: 12.3169 ± 0.0002 Å
• α: 98.26 ± 0.001°
• β: 114.283 ± 0.001°
• γ: 101.418 ± 0.001°
• Cell volume: 1520.15 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0208
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes