Information card for entry 7109382

Structure parameters

• Formula: C27 H37 Au Cl2 N2
• Calculated formula: C27 H37 Au Cl2 N2
• SMILES: [Au](Cl)[Cl-].n1(c[n+](cc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Straightforward synthesis of [Au(NHC)X] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes
• Authors of publication: Alba Collado; Adrian Gomez-Suarez; Anthony R. Martin; Alexandra M. Z. Slawin; Steven P. Nolan
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5541
• a: 9.363 ± 0.004 Å
• b: 9.547 ± 0.004 Å
• c: 17.518 ± 0.008 Å
• α: 88.664 ± 0.012°
• β: 87.459 ± 0.013°
• γ: 61.355 ± 0.007°
• Cell volume: 1372.9 ± 1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.5165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No