Information card for entry 4128930

Structure parameters

• Common name: 3 in manuscript
• Formula: C68 H87 Au2 F6 N5 O5 S3
• Calculated formula: C68 H87 Au2 F6 N5 O5 S3
• Title of publication: 1,1-Digoldallylium Complexes: Diaurated Allylic Carbocations Indicate New Prospects of the Coordination Chemistry of Carbon.
• Authors of publication: Mulks, Florian F.; Antoni, Patrick W.; Gross, Jürgen H; Graf, Jürgen; Rominger, Frank; Hashmi, A Stephen K
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 11
• Pages of publication: 4687 - 4695
• a: 15.082 ± 0.002 Å
• b: 17.405 ± 0.002 Å
• c: 17.968 ± 0.002 Å
• α: 66.38 ± 0.002°
• β: 80.662 ± 0.003°
• γ: 80.269 ± 0.003°
• Cell volume: 4235.9 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No