Information card for entry 7704075

Structure parameters

• Formula: C51 H36 Cl9 F6 Ir N5 P
• Calculated formula: C51 H36 Cl9 F6 Ir N5 P
• 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: 13.7115 ± 0.0002 Å
• b: 18.8612 ± 0.0003 Å
• c: 21.0299 ± 0.0004 Å
• α: 90°
• β: 108.308 ± 0.002°
• γ: 90°
• Cell volume: 5163.36 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No