Information card for entry 7236468

Structure parameters

• Chemical name: (1-methyl-3-phenyl-2,3-dihydro-1H-imidazole)-bis(4-fluorophenylethynyl)-gold(iii) hexane solvate 2:1
• Formula: C29 H24 Au F2 N2
• Calculated formula: C29 H24 Au F2 N2
• Title of publication: Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters
• Authors of publication: von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 3765
• a: 12.6163 ± 0.0002 Å
• b: 6.87229 ± 0.0001 Å
• c: 15.3236 ± 0.0003 Å
• α: 90°
• β: 111.884 ± 0.002°
• γ: 90°
• Cell volume: 1232.86 ± 0.04 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No