Information card for entry 2223820

Structure parameters

• Chemical name: Tetraaquabis[2-(thiosemicarbazonomethyl)benzenesulfonato]manganese(II)
• Formula: C16 H24 Mn N6 O10 S4
• Calculated formula: C16 H24 Mn N6 O10 S4
• SMILES: C(=S)(N)N/N=C/c1c(cccc1)S(=O)(=O)O[Mn](OS(=O)(=O)c1c(/C=N/NC(=S)N)cccc1)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis[2-(thiosemicarbazonomethyl)benzenesulfonato]manganese(II)
• Authors of publication: Tai, Xi-Shi; Zhao, Zeng-Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1491
• a: 6.8096 ± 0.0006 Å
• b: 9.5498 ± 0.0008 Å
• c: 10.7898 ± 0.0009 Å
• α: 64.386 ± 0.001°
• β: 88.495 ± 0.001°
• γ: 83.791 ± 0.001°
• Cell volume: 628.83 ± 0.09 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes