Information card for entry 7704080

Structure parameters

• Formula: C61.25 H55.75 Cl1.5 F6 Ir N5 O2.12 P S2
• Calculated formula: C61.25 H55.75 Cl1.5 F6 Ir N5 O2.125 P S2
• Title of publication: Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]⁺ complexes based on the cyclometalating and diimine ligands of this type.
• Authors of publication: Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6751 - 6763
• a: 35.673 ± 0.0005 Å
• b: 33.4826 ± 0.0005 Å
• c: 19.7402 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23578.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No