Information card for entry 1567789

Structure parameters

• Formula: C14 H15 F6 Mn N3 O7 S2
• Calculated formula: C14 H15 F6 Mn N3 O7 S2
• Title of publication: Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins
• Authors of publication: Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 24
• Pages of publication: 7341 - 7348
• a: 8.9946 ± 0.0007 Å
• b: 9.9209 ± 0.0008 Å
• c: 12.2244 ± 0.0009 Å
• α: 90°
• β: 105.646 ± 0.003°
• γ: 90°
• Cell volume: 1050.42 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No