Information card for entry 1543239

Structure parameters

• Formula: C35 H31 F6 Ir N4 O3 P
• Calculated formula: C35 H31 F6 Ir N4 O3 P
• Title of publication: Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands
• Authors of publication: Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2016
• Journal volume: 120
• Journal issue: 13
• Pages of publication: 7284
• a: 9.7156 ± 0.0002 Å
• b: 12.4425 ± 0.0003 Å
• c: 14.4092 ± 0.0003 Å
• α: 99.2448 ± 0.0019°
• β: 98.284 ± 0.002°
• γ: 98.193 ± 0.002°
• Cell volume: 1676.66 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0449
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No