Information card for entry 2012361

Structure parameters

• Chemical name: Bis(2,2':6',2''-Terpyridine-N,N',N'')-manganese(ii) tetrathionate, trihydrate.
• Formula: C30 H28 Mn N6 O9 S4
• Calculated formula: C30 H28 Mn N6 O9 S4
• SMILES: [Mn]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(ccc1)c1[n]4cccc1.S(=O)(=O)(SSS(=O)(=O)[O-])[O-].O.O.O
• Title of publication: Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>)manganese(II) tetrathionate trihydrate
• Authors of publication: Freire, Eleonora; Baggio, Sergio; Garland, Maria Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1403 - 1404
• a: 8.783 ± 0.003 Å
• b: 18.594 ± 0.007 Å
• c: 21.556 ± 0.012 Å
• α: 90°
• β: 94.05 ± 0.04°
• γ: 90°
• Cell volume: 3512 ± 3 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: 0.116
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes