Information card for entry 7047954

Structure parameters

• Common name: S,S-C4
• Formula: C20 H30 F6 Mn N6 O6 S2
• Calculated formula: C20 H30 F6 Mn N6 O6 S2
• Title of publication: Catalytic oxidation of alcohols with novel non-heme N₄-tetradentate manganese(ii) complexes.
• Authors of publication: Vermaak, Vincent; Young, Desmond A.; Swarts, Andrew J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16534 - 16542
• a: 9.348 ± 0.002 Å
• b: 9.348 ± 0.002 Å
• c: 32.8311 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2868.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No