Information card for entry 1567327

Structure parameters

• Formula: C35 H48 Au F6 N4 O6 Sb
• Calculated formula: C35 H44 Au F6 N4 O6 Sb
• SMILES: [Au]1(c2n(n[n+](c2c2[n]1cccc2)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(OC(=O)C)OC(=O)C.[Sb](F)(F)(F)(F)([F-])F.O.O
• 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: 11.63 ± 0.04 Å
• b: 12.52 ± 0.05 Å
• c: 15.71 ± 0.06 Å
• α: 76.35 ± 0.1°
• β: 72.58 ± 0.07°
• γ: 65.54 ± 0.08°
• Cell volume: 1970 ± 13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No