Information card for entry 2210503

Structure parameters

• Chemical name: Pentaaqua-1κ^5^O-(μ-pyridine-2,6-dicarboxylato- 1κO^2^:2κ^3^O^2'^,N,O^6^)(pyridine-2,6-dicarboxylato- 2κ^3^O^2^,N,O^6^)dimanganese(II) dihydrate
• Formula: C14 H20 Mn2 N2 O15
• Calculated formula: C14 H20 Mn2 N2 O15
• SMILES: [Mn]1234([n]5c(C(=O)O1)cccc5C(=O)O2)[n]1c(C(=O)O3)cccc1C(O[Mn]([OH2])([OH2])([OH2])([OH2])[OH2])=[O]4.O.O
• Title of publication: Pentaaqua-1κ^5^<i>O</i>-(μ-pyridine-2,6-dicarboxylato-1κ<i>O</i>^2^:2κ^3^<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^)(pyridine-2,6-dicarboxylato-2κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)dimanganese(II) dihydrate
• Authors of publication: Liu, Ying; Dou, Jian-Min; Wang, Da-Qi; Zhang, Xian-Xi; Zhou, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2526 - m2527
• a: 8.4001 ± 0.0004 Å
• b: 27.434 ± 0.0014 Å
• c: 9.626 ± 0.0005 Å
• α: 90°
• β: 98.24 ± 0.001°
• γ: 90°
• Cell volume: 2195.39 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1051
• 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