Information card for entry 2011695

Structure parameters

• Chemical name: Bis(2,2'-bipyridyl-N,N') manganese(II) tetrathionate O,O'
• Formula: C20 H16 Mn N4 O6 S4
• Calculated formula: C20 H16 Mn N4 O6 S4
• SMILES: c1cccc2[n]1[Mn]13(OS(=O)(=O)SSS(=O)(=O)O3)([n]3ccccc3c3cccc[n]13)[n]1c2cccc1
• Title of publication: <i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)]-μ-(thiosulfato-<i>O</i>:<i>S</i>)] and bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(tetrathionato-<i>O</i>,<i>O</i>')manganese(II)
• Authors of publication: Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 14 - 17
• a: 15.33 ± 0.003 Å
• b: 9.889 ± 0.002 Å
• c: 16.061 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2434.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No