Information card for entry 7102266

Structure parameters

• Formula: C24 H22 F6 Mn N4 O6 S2
• Calculated formula: C24 H22 F6 Mn N4 O6 S2
• SMILES: [Mn]123([n]4cccc5cccc([N]1(CC[N]2(c1cccc2ccc[n]3c12)C)C)c45)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: A highly efficient non-heme manganese complex in oxygenation reactions.
• Authors of publication: Nehru, Kasi; Kim, Soo Jeong; Kim, In Young; Seo, Mi Sook; Kim, Youngmee; Kim, Sung-Jin; Kim, Jinheung; Nam, Wonwoo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 4623 - 4625
• a: 9.677 ± 0.006 Å
• b: 13.617 ± 0.01 Å
• c: 21.66 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2854 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1472
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No