Information card for entry 2023347

Structure parameters

• Chemical name: (2,9-Dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)
• Formula: C42 H40.44 F6 Ir N4.78 O0.61 P
• Calculated formula: C42 H40.44 F6 Ir N4.78 O0.61 P
• Title of publication: (2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate and (2,9-dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)
• Authors of publication: Gienau, Trevor J.; Clay, Malachi; Brennessel, William W.; Reed, Carly R.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 2
• a: 9.17379 ± 0.00007 Å
• b: 13.10065 ± 0.00009 Å
• c: 16.55352 ± 0.00014 Å
• α: 74.8888 ± 0.0006°
• β: 78.9993 ± 0.0007°
• γ: 88.7599 ± 0.0006°
• Cell volume: 1884.53 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.027
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No