Information card for entry 2228513

Structure parameters

• Chemical name: Tetraaquabis[4-(pyrazin-2-ylsulfanylmethyl)benzoato]manganese(II) dihydrate
• Formula: C24 H30 Mn N4 O10 S2
• Calculated formula: C24 H30 Mn N4 O10 S1.994
• Title of publication: Tetraaquabis[4-(pyrazin-2-ylsulfanylmethyl)benzoato]manganese(II) dihydrate
• Authors of publication: Li, Fu-An
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1526
• a: 16.587 ± 0.003 Å
• b: 7.8928 ± 0.0016 Å
• c: 10.986 ± 0.002 Å
• α: 90°
• β: 94.38 ± 0.03°
• γ: 90°
• Cell volume: 1434.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0724
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.2184
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes