Information card for entry 4132076

Structure parameters

• Formula: C18 H10 Au Cl F8 I N3 O4 S2
• Calculated formula: C18 H10 Au Cl F8 I N3 O4 S2
• SMILES: [Au]1([n]2cc(ccc2c2[n]1cc(cc2)F)F)(c1ccc(cc1)Cl)I.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F
• Title of publication: Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.
• Authors of publication: Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 12
• Pages of publication: 4440 - 4445
• a: 8.2089 ± 0.0002 Å
• b: 16.0113 ± 0.0004 Å
• c: 19.2265 ± 0.0004 Å
• α: 90°
• β: 97.1398 ± 0.0013°
• γ: 90°
• Cell volume: 2507.44 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.04 K
• Number of distinct elements: 9
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No