Information card for entry 7033596

Structure parameters

• Formula: C54 H36 Cl6 Ir2 N4 O8
• Calculated formula: C54 H36 Cl6 Ir2 N4 O8
• Title of publication: Formylated chloro-bridged iridium(iii) dimers as OLED materials: opening up new possibilities.
• Authors of publication: Wong, Michael Y.; Xie, Guohua; Tourbillon, Clarisse; Sandroni, Martina; Cordes, David B.; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Zysman-Colman, Eli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8419 - 8432
• a: 22.9927 ± 0.0011 Å
• b: 11.5838 ± 0.0005 Å
• c: 38.737 ± 0.0018 Å
• α: 90°
• β: 97.2195 ± 0.0013°
• γ: 90°
• Cell volume: 10235.5 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No