Information card for entry 4103377

Structure parameters

• Formula: C41 H16 F15 Mn N4 O2
• Calculated formula: C41 H16 F15 Mn N4 O2
• SMILES: [Mn]123(n4c5ccc4c4n2c(C(c2c(F)c(F)c(F)c(F)c2F)=c2[n]1c(cc2)C(=c1n3c(=C5c2c(F)c(F)c(F)c(F)c2F)cc1)c1c(F)c(F)c(F)c(F)c1F)cc4)[O]=C(OCC)C
• Title of publication: Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides
• Authors of publication: Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15233 - 15245
• a: 14.816 ± 0.003 Å
• b: 39.268 ± 0.008 Å
• c: 7.422 ± 0.001 Å
• α: 90°
• β: 104.29 ± 0.03°
• γ: 90°
• Cell volume: 4184.5 ± 1.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1466
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.2615
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.382
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No