Information card for entry 7031006

Structure parameters

• Common name: Bis(mu-chloro)2-bis(bis(2- hydroxymethylpyridine)manganese(ii)) dichloride dihydrate
• Chemical name: Bis(mu-chloro)2-bis(bis(2-hydroxymethylpyridine)manganese(II)) dichloride dihydrate
• Formula: C24 H32 Cl4 Mn2 N4 O6
• Calculated formula: C24 H32 Cl4 Mn2 N4 O6
• SMILES: c12cccc[n]2[Mn]23([Cl][Mn]45([Cl]2)([n]2c(cccc2)C[OH]4)[n]2c(cccc2)C[OH]5)([OH]Cc2cccc[n]32)[OH]C1.[Cl-].O.[Cl-].O
• Title of publication: Effective catalytic disproportionation of aqueous H2O2 with di- and mono-nuclear manganese(ii) complexes containing pyridine alcohol ligands.
• Authors of publication: Zienkiewicz, M.; Jabłońska-Wawrzycka, A; Szlachetko, J.; Kayser, Y.; Stadnicka, K.; Sawka-Dobrowolska, W; Jezierska, J.; Barszcz, B.; Sá, J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8599 - 8608
• a: 7.897 ± 0.0002 Å
• b: 9.7655 ± 0.0003 Å
• c: 11.4184 ± 0.0004 Å
• α: 73.57 ± 0.002°
• β: 70.964 ± 0.002°
• γ: 77.267 ± 0.002°
• Cell volume: 790.41 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No