Information card for entry 1567336

Structure parameters

• Formula: C42 H45 Au F6 N5 Sb
• Calculated formula: C42 H45 Au F6 N5 Sb
• SMILES: [Au]12(c3c(c4c2cccc4)cccc3)[n]2c(nccc2)c2c1[n+](nn2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[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: 17.0009 ± 0.0007 Å
• b: 11.783 ± 0.0005 Å
• c: 19.9923 ± 0.0008 Å
• α: 90°
• β: 98.26 ± 0.002°
• γ: 90°
• Cell volume: 3963.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No