Information card for entry 7029887

Structure parameters

• Chemical name: Tribromido-{2-(2,6-dimethylphenyl)imidazo[1,5-a]pyridin-3-ylidene}gold(III)
• Formula: C15 H14 Au Br3 N2
• Calculated formula: C15 H14 Au Br3 N2
• SMILES: [Au](Br)(Br)(Br)=c1n2c(cn1c1c(C)cccc1C)cccc2
• 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: 9.591 ± 0.002 Å
• b: 14.252 ± 0.003 Å
• c: 12.728 ± 0.003 Å
• α: 90°
• β: 99.907 ± 0.007°
• γ: 90°
• Cell volume: 1713.9 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No