Information card for entry 2217001

Structure parameters

• Chemical name: catena-Poly[[diaquamanganese(II)]-μ-pyridine-2,4,6-tricarboxylato- κ^5^N,O^2^,O^6^:O^4^,O^4'^]
• Formula: C8 H6 Mn N O8
• Calculated formula: C8 H6 Mn N O8
• SMILES: [Mn]123([OH2])([OH2])(OC(=O)c4[n]3c(C(=O)O2)cc(c4)C3=[O][Mn](O3)([OH2])[OH2])[O]=C(O1)c1cc(C(=O)[O-])nc(C(=O)[O-])c1
• Title of publication: <i>catena</i>-Poly[[diaquamanganese(II)]-μ-pyridine-2,4,6-tricarboxylato-κ^5^<i>N</i>,<i>O</i>^2^,<i>O</i>^6^:<i>O</i>^4^,<i>O</i>^4'^]
• Authors of publication: Fu, Da-Wei; Xu, Hai-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m35 - m35
• a: 11.406 ± 0.002 Å
• b: 9.1463 ± 0.0018 Å
• c: 10.155 ± 0.002 Å
• α: 90°
• β: 107.76 ± 0.03°
• γ: 90°
• Cell volume: 1008.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes