Information card for entry 7128902

Structure parameters

• Formula: C44 H38 Au B2 F8 O2 P S
• Calculated formula: C44 H38 Au B2 F8 O2 P S
• SMILES: [Au]([P](c1ccccc1)(c1c2Oc3c(c4c5ccccc5[o+]c5ccccc45)cccc3C(c2ccc1)(C)C)c1ccccc1)[S]1CCCC1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Isolation and reactivity of a gold(I) hydroxytrifluoroborate complex stabilized by anion-π⁺ interactions.
• Authors of publication: Zhou, Jiliang; Litle, Elishua D.; Gabbaï, François P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 79
• Pages of publication: 10154 - 10157
• a: 12.0811 ± 0.0017 Å
• b: 27.755 ± 0.004 Å
• c: 13.1547 ± 0.0018 Å
• α: 90°
• β: 113.191 ± 0.005°
• γ: 90°
• Cell volume: 4054.5 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No