Information card for entry 1567337

Structure parameters

• Formula: C67 H88 Au2 Cl2 F12 N8 O Sb2
• Calculated formula: C67 H88 Au2 Cl2 F12 N8 O Sb2
• SMILES: [Au]12[Au]([n]3c(c4n(n[n+](c24)c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)cccc3)c2[n+](nn(c2c2[n]1cccc2)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC.ClCCl.[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)([F-])(F)F
• Title of publication: Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids
• Authors of publication: Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 9351 - 9360
• a: 16.5318 ± 0.0008 Å
• b: 17.9336 ± 0.0008 Å
• c: 25.9388 ± 0.0012 Å
• α: 90°
• β: 107.017 ± 0.002°
• γ: 90°
• Cell volume: 7353.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0745
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No