Information card for entry 2211256

Structure parameters

• Chemical name: 4,4'-Bipyridinium diaquabis(pyridine-2,5-dicarboxylato-κ^2^N,O^2^)zinc(II)
• Formula: C24 H20 N4 O10 Zn
• Calculated formula: C24 H20 N4 O10 Zn
• SMILES: c1cc(cc[nH+]1)c1cc[nH+]cc1.[OH2][Zn]12([n]3c(ccc(c3)C(=O)[O-])C(=O)O1)([n]1c(ccc(c1)C(=O)[O-])C(=O)O2)[OH2]
• Title of publication: 4,4'-Bipyridinium diaquabis(pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)zincate(II)
• Authors of publication: Hui, Wang; Ming-Xing Li; Ming, Shao; Xiang, He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3309 - m3311
• a: 7.0178 ± 0.0012 Å
• b: 8.6945 ± 0.0015 Å
• c: 10.4753 ± 0.0018 Å
• α: 112.469 ± 0.002°
• β: 90.395 ± 0.002°
• γ: 106.127 ± 0.002°
• Cell volume: 562.78 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes