Information card for entry 7131552

Structure parameters

• Common name: 12
• Formula: C55 H45 Ag Au F12 N6 O8 P2 S4
• Calculated formula: C55 H45 Ag Au F12 N6 O8 P2 S4
• 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: 16.5099 ± 0.0014 Å
• b: 26.641 ± 0.003 Å
• c: 27.507 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12099 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No