Information card for entry 7236475

Structure parameters

• Chemical name: trichloro[1-(dibenzo[b,d]furan-4-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-yl]-gold(iii)
• Formula: C16 H12 Au Cl3 N2 O
• Calculated formula: C16 H12 Au Cl3 N2 O
• 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: 12.4966 ± 0.0004 Å
• b: 10.2798 ± 0.0003 Å
• c: 13.1496 ± 0.0003 Å
• α: 90°
• β: 90.296 ± 0.003°
• γ: 90°
• Cell volume: 1689.21 ± 0.08 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 K
• Number of distinct elements: 6
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No