Information card for entry 1513600

Structure parameters

• Formula: C22 H30 F6 Mn N4 O7 S2
• Calculated formula: C22 H30 F6 Mn N4 O7 S2
• SMILES: [O-]S(=O)(=O)C(F)(F)F.[Mn]123([n]4ccccc4[C@@H]([NH]1[C@@H]1CCCC[C@H]1[NH]2[C@@H](c1[n]3cccc1)C)C)OS(=O)(=O)C(F)(F)F.O
• Title of publication: Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins
• Authors of publication: Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 208
• a: 9.3603 ± 0.001 Å
• b: 17.4152 ± 0.0019 Å
• c: 18.206 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2967.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No