Information card for entry 2015337

Structure parameters

• Chemical name: catena-Poly[[tetraaquamanganese(II)]-μ-4- (carboxylatomethylsulfanyl)phenoxyacetato]
• Formula: C10 H16 Mn O9 S
• Calculated formula: C10 H16 Mn O9 S
• SMILES: [Mn]([OH2])([OH2])([OH2])([OH2])(OC(=O)CSc1ccc(OCC([O-])=O)cc1)OC(=O)COc1ccc(SCC(=O)O[Mn]([OH2])([OH2])([OH2])[OH2])cc1
• Title of publication: <i>catena</i>-Poly[[tetraaquamanganese(II)]-μ-4-(carboxylatomethylsulfanyl)phenoxyacetato]
• Authors of publication: Hong Su; Yun-Long Feng; Yi-Hang Wen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m208 - m210
• a: 5.0977 ± 0.001 Å
• b: 11.444 ± 0.002 Å
• c: 12.183 ± 0.002 Å
• α: 90°
• β: 95.58 ± 0.03°
• γ: 90°
• Cell volume: 707.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes