Information card for entry 2243972

Structure parameters

• Chemical name: Bis(4-bromo-1,3-diethylimidazol-2-ylidene)gold(I) <i>trans</i>-bis(4-bromo-1,3-diethyl-imidazol-2-ylidene)diiodidogold(III) diiodide
• Formula: C28 H44 Au2 Br4 I4 N8
• Calculated formula: C28 H44 Au2 Br4 I4 N8
• SMILES: C1(N(C(=CN1CC)Br)CC)=[Au](=C1N(C(=CN1CC)Br)CC)(I)I.[I-].[Au](=C1N(C(Br)=CN1CC)CC)=C1N(C(Br)=CN1CC)CC.[I-]
• 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: 8.0245 ± 0.0004 Å
• b: 8.5782 ± 0.0003 Å
• c: 15.9814 ± 0.0006 Å
• α: 91.228 ± 0.003°
• β: 96.517 ± 0.004°
• γ: 92.255 ± 0.004°
• Cell volume: 1091.77 ± 0.08 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: 0.0504
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes