Information card for entry 7016786

Structure parameters

• Formula: C44.4 H33.8 Br2 Ir N4 O2
• Calculated formula: C44.4 H33 Br2 Ir N4 O2
• Title of publication: New 2,3-disubstituted-5-hydroxyquinoxaline ligands and their coordination chemistry with cyclometallated iridium(iii): syntheses, structures and tunable electronic properties.
• Authors of publication: Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9474 - 9481
• a: 18.3163 ± 0.0006 Å
• b: 9.7199 ± 0.0004 Å
• c: 23.338 ± 0.0005 Å
• α: 90°
• β: 110.101 ± 0.002°
• γ: 90°
• Cell volume: 3901.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1245
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No