Information card for entry 2216333

Structure parameters

• Chemical name: Poly[μ~2~-aqua-diaquabis(μ~3~-pyridine-2,6-dicarboxylato)manganese(II)]
• Formula: C14 H12 Mn2 N2 O11
• Calculated formula: C14 H12 Mn2 N2 O11
• SMILES: [Mn]1234([OH2])[O](C(=O)c5[n]2c(C(=O)O[Mn]26([OH2]1)([OH2])[O](C(=O)c1[n]2c(C(=O)O4)ccc1)[Mn]12(OC(=O)c4[n]2c(C(=O)[O]61)ccc4)[OH2])ccc5)[Mn]12(OC(=O)c4[n]2c(C(=O)[O]31)ccc4)([OH2])[OH2]
• Title of publication: Redetermination of poly[μ~2~-aqua-diaquabis(μ~3~-pyridine-2,6-dicarboxylato)manganese(II)]
• Authors of publication: Shuxin Cui; Yulong Zhao; Jingping Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3102 - m3102
• a: 13.1763 ± 0.0013 Å
• b: 9.7513 ± 0.001 Å
• c: 13.151 ± 0.0013 Å
• α: 90°
• β: 96.427 ± 0.002°
• γ: 90°
• Cell volume: 1679.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes