Information card for entry 2231234

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetraaquamanganese(II)]-μ-5-carboxylato- 1-carboxylatomethyl-2-oxidopyridinium-κ^2^<i>O</i>^5^:<i>O</i>^1^]
• Formula: C8 H13 Mn N O9
• Calculated formula: C8 H13 Mn N O9
• SMILES: [Mn]([OH2])([OH2])([OH2])([OH2])(OC(=O)c1ccc(=O)n(CC(=O)[O-])c1)OC(=O)Cn1c(=O)ccc(c1)C(=O)O[Mn]([OH2])([OH2])([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[tetraaquamanganese(II)]-μ-5-carboxylato-1-carboxylatomethyl-2-oxidopyridinium-κ^2^<i>O</i>^5^:<i>O</i>^1^]
• Authors of publication: Yuan, Hong-Yan; Jiang, Mei-Xiang; Feng, Yun-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1036
• a: 5.1537 ± 0.0002 Å
• b: 21.2008 ± 0.0009 Å
• c: 10.9727 ± 0.0004 Å
• α: 90°
• β: 99.182 ± 0.002°
• γ: 90°
• Cell volume: 1183.54 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes