Information card for entry 1513601

Structure parameters

• Formula: C22 H30 F6 Mn N4 O7 S2
• Calculated formula: C22 H30 F6 Mn N4 O7 S2
• SMILES: [Mn]123([OH2])(OS(=O)(=O)C(F)(F)F)[n]4ccccc4[C@@H]([NH]1[C@H]1CCCC[C@@H]1[NH]2[C@@H](c1[n]3cccc1)C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 9.3527 ± 0.0019 Å
• b: 17.384 ± 0.003 Å
• c: 18.184 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2956.5 ± 1 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: 0.0843
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No