Information card for entry 7029888

Structure parameters

• Chemical name: Tribromido-{2-(2,6-diisopropylphenyl)imidazo[1,5-a]pyridin-3-ylidene}gold(III)
• Formula: C19 H22 Au Br3 N2
• Calculated formula: C19 H22 Au Br3 N2
• SMILES: Br[Au](Br)(Br)=c1n(cc2n1cccc2)c1c(C(C)C)cccc1C(C)C
• Title of publication: Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.
• Authors of publication: Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8781 - 8791
• a: 10.005 ± 0.004 Å
• b: 13.609 ± 0.005 Å
• c: 16.219 ± 0.006 Å
• α: 90°
• β: 100.229 ± 0.014°
• γ: 90°
• Cell volume: 2173.2 ± 1.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No