Information card for entry 7236471

Structure parameters

• Chemical name: (3,4-dibenzofurandiyl(3-methyl-1H-imidazol-2-ylidene))- bis(pentafluorophenyl)-gold(iii) pentane solvate 4:1
• Formula: C117 H56 Au4 F40 N8 O4
• Calculated formula: C117 H56 Au4 F40 N8 O4
• 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: 31.2423 ± 0.0017 Å
• b: 13.269 ± 0.0007 Å
• c: 14.5873 ± 0.0007 Å
• α: 90°
• β: 102.587 ± 0.005°
• γ: 90°
• Cell volume: 5901.9 ± 0.5 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No