Information card for entry 1567788

Structure parameters

• Formula: C16 H16 F6 Mn N4 O6 S2
• Calculated formula: C16 H16 F6 Mn N4 O6 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: 8.8255 ± 0.001 Å
• b: 11.6235 ± 0.0014 Å
• c: 12.598 ± 0.0015 Å
• α: 73.4523 ± 0.0018°
• β: 75.8056 ± 0.0018°
• γ: 72.4567 ± 0.0018°
• Cell volume: 1163.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No