Information card for entry 7047953

Structure parameters

• Common name: work
• 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: 9.3461 ± 0.0003 Å
• b: 9.3461 ± 0.0003 Å
• c: 32.8191 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2866.73 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No