Information card for entry 7022925

Structure parameters

• Chemical name: catena-(aqua-(2-hydroxymethylpyridine)-(?3 -sulfate-O,O',O'')-manganese(II)
• Formula: C6 H9 Mn N O6 S
• Calculated formula: C6 H9 Mn N O6 S
• Title of publication: A novel single-site manganese(II) complex of a pyridine derivative as a catalase mimetic for disproportionation of H2O2 in water.
• Authors of publication: Zienkiewicz, Małgorzata; Szlachetko, Jakub; Lothschütz, Christian; Hodorowicz, Maciej; Jabłońska-Wawrzycka, Agnieszka; Sá, Jacinto; Barszcz, Barbara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7761 - 7767
• a: 9.4275 ± 0.0008 Å
• b: 7.9796 ± 0.0005 Å
• c: 13.0018 ± 0.0009 Å
• α: 90°
• β: 91.422 ± 0.007°
• γ: 90°
• Cell volume: 977.79 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No