Information card for entry 2243971

Structure parameters

• Chemical name: Bis(4-bromo-1,3-diethylimidazol-2-ylidene)gold(I) iodide
• Formula: C14 H22 Au Br2 I N4
• Calculated formula: C14 H22 Au Br2 I N4
• Title of publication: Crystal structures of the gold NHC complex bis(4-bromo-1,3-diethylimidazol-2-ylidene)gold(I) iodide and its 1:1 adduct with <i>trans</i>-bis(4-bromo-1,3-diethyl-imidazol-2-ylidene)diiodidogold(III) iodide
• Authors of publication: Büssing, Rolf; Ott, Ingo; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 12
• Pages of publication: 1249 - 1252
• a: 8.4676 ± 0.0002 Å
• b: 8.8248 ± 0.0003 Å
• c: 14.0119 ± 0.0005 Å
• α: 76.374 ± 0.003°
• β: 85.32 ± 0.002°
• γ: 85.251 ± 0.002°
• Cell volume: 1011.99 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0313
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes