Information card for entry 7132989

Structure parameters

• Formula: C21 H29 Au B2 F8 N6
• Calculated formula: C21 H29 Au B2 F8 N6
• SMILES: [Au]([n]1cn(cc1)C)([N]#CC)([n]1cn(cc1)C)c1c(C)cc(cc1C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC
• Title of publication: An extremely electron poor Au(III) trication bearing acetonitrile ligands.
• Authors of publication: Barwise, Lachlan; Moon, Lachlan J.; Dhakal, Bibidh; Hogan, Conor F.; White, Keith F.; Dutton, Jason L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 43
• Pages of publication: 5586 - 5589
• a: 9.4083 ± 0.0001 Å
• b: 19.422 ± 0.0002 Å
• c: 15.7483 ± 0.0002 Å
• α: 90°
• β: 103.473 ± 0.001°
• γ: 90°
• Cell volume: 2798.46 ± 0.06 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No