Information card for entry 2202035

Structure parameters

• Common name: manganese(II) 2,2'-bipryidine-3,3'-dicarboxylate dihydrate
• Chemical name: catena-poly-[[diaquamanganese(II)]-μ-(2,2'-bipyridyl-3,3'- dicarboxylato-κ^4^N,N':O,O')]
• Formula: C12 H10 Mn N2 O6
• Calculated formula: C12 H10 Mn N2 O6
• SMILES: [Mn]12(OC(=O)c3ccc[n]4[Mn]([OH2])([OH2])[n]5c(c(C(=O)O1)ccc5)c34)([OH2])([OH2])[n]1c(c3c(C(=O)[O-])ccc[n]23)c(ccc1)C(=O)[O-]
• Title of publication: A one-dimensional double-wavelike chain coordination polymer: <i>catena</i>-poly[[diaquamanganese(II)]-μ-(2,2'-bipyridyl-3,3'-dicarboxylato-κ^4^<i>N,N</i>':<i>O,O</i>')]
• Authors of publication: Hong-Tao Zhang; Ting Shao; Hua-Qin Wang; Xiao-Zeng You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m342 - m344
• a: 11.617 ± 0.002 Å
• b: 8.03 ± 0.002 Å
• c: 12.961 ± 0.003 Å
• α: 90°
• β: 100.17 ± 0.03°
• γ: 90°
• Cell volume: 1190.1 ± 0.5 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: 0.0463
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0932
• 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