Information card for entry 7236474

Structure parameters

• Chemical name: chloro[1-(dibenzo[b,d]furan-4-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-yl]-gold(i)
• Formula: C16 H12 Au Cl N2 O
• Calculated formula: C16 H12 Au Cl 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: 7.42395 ± 0.00015 Å
• b: 9.7184 ± 0.00019 Å
• c: 11.1571 ± 0.0002 Å
• α: 75.03 ± 0.0016°
• β: 73.7053 ± 0.0017°
• γ: 69.5966 ± 0.0018°
• Cell volume: 712.55 ± 0.03 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No