Information card for entry 2017566

Structure parameters

• Chemical name: trichlorido[4'-(<i>p</i>-tolyl)-2,2':6',2''-terpyridine]iridium(III) dimethyl sulfoxide solvate
• Formula: C24 H23 Cl3 Ir N3 O S
• Calculated formula: C24 H23 Cl3 Ir N3 O S
• Title of publication: Mono- and bis-tolylterpyridine iridium(III) complexes
• Authors of publication: Hinkle, Lindsay M.; Young, Jr, Victor G.; Mann, Kent R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m62 - m64
• a: 10.377 ± 0.002 Å
• b: 23.166 ± 0.005 Å
• c: 10.37 ± 0.002 Å
• α: 90°
• β: 93.22 ± 0.03°
• γ: 90°
• Cell volume: 2488.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes