Information card for entry 7131547

Structure parameters

• Common name: 6
• Formula: C47 H40 F12 N6 O9 P2 S4 Zn
• Calculated formula: C47 H40 F12 N6 O9 P2 S4 Zn
• 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: 12.6499 ± 0.0018 Å
• b: 14.203 ± 0.003 Å
• c: 16.8 ± 0.003 Å
• α: 77.885 ± 0.003°
• β: 75.56 ± 0.003°
• γ: 77.008 ± 0.003°
• Cell volume: 2810.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.2667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No