Information card for entry 2203147

Structure parameters

• Chemical name: catena-Poly[[aquamanganese(II)]-di-μ-4-pyridylthioacetato-κ^6^O,O':N;N:O,O']
• Formula: C14 H14 Mn N2 O5 S2
• Calculated formula: C14 H14 Mn N2 O5 S2
• SMILES: [Mn]12([OH2])[O]=C(O1)CSc1cc[n](cc1)[Mn]13([O]=C(O1)CSc1cc[n]2cc1)([O]=C(O3)CSc1ccncc1)([OH2])[n]1ccc(cc1)SCC(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[aquamanganese(II)]-di-μ-4-pyridylthioacetato-κ^6^<i>O,O</i>':<i>N</i>;<i>N</i>:<i>O,O</i>']
• Authors of publication: Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m169 - m170
• a: 21.595 ± 0.003 Å
• b: 6.4904 ± 0.0008 Å
• c: 15.611 ± 0.002 Å
• α: 90°
• β: 132.774 ± 0.001°
• γ: 90°
• Cell volume: 1606.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes