Information card for entry 2243351

Structure parameters

• Chemical name: {μ-<i>N</i>,<i>N</i>'-Bis[3,5-bis(trifluoromethyl)phenyl]oxamidato}bis(bis{2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-κ^2^<i>C</i>^1^,<i>N</i>'}iridium)‒chlorobenzene‒pentane (1/2.3/0.4)
• Formula: C113.8 H94.3 Cl2.3 F12 Ir2 N6 O2
• Calculated formula: C113.8 H91.2 Cl2.3 F12 Ir2 N6 O2
• Title of publication: Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants
• Authors of publication: M'hamedi, Ahmed; Batsanov, Andrei S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• Pages of publication: 392 - 399
• a: 11.8734 ± 0.0005 Å
• b: 14.2267 ± 0.0006 Å
• c: 16.6076 ± 0.0007 Å
• α: 110.386 ± 0.002°
• β: 106.524 ± 0.002°
• γ: 96.303 ± 0.002°
• Cell volume: 2452 ± 0.19 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes