Information card for entry 7131551

Structure parameters

• Common name: 9
• Formula: C52 H52 Ag Au F12 N6 O8 P2 S5
• Calculated formula: C48 H42 Ag Au F12 N6 O8 P2 S5
• SMILES: [Au]12[Ag]3([S](C)C)[N](Cc4nc([P]1(c1ccccc1)c1ccccc1)ccc4)(Cc1[n]3c([P]2(c2ccccc2)c2ccccc2)ccc1)Cc1ncccc1.S(=O)([O-])(=NS(=O)(=O)C(F)(F)F)C(F)(F)F.S(=O)([O-])(=NS(=O)(=O)C(F)(F)F)C(F)(F)F
• Title of publication: Au → M bonds promote catalytic alkyne hydrofunctionalisation.
• Authors of publication: Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 36
• Pages of publication: 5459 - 5462
• a: 14.1986 ± 0.0013 Å
• b: 15.7612 ± 0.0015 Å
• c: 15.7808 ± 0.0015 Å
• α: 96.576 ± 0.002°
• β: 108.838 ± 0.002°
• γ: 107.971 ± 0.002°
• Cell volume: 3088.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No