Information card for entry 2212238

Structure parameters

• Chemical name: μ-4,4'-Bipyridine-κ^2^N:N'-bis[triaqua(pyridine-2,4-dicarboxylato- κ^2^N,O^2^)zinc(II)] dihydrate
• Formula: C24 H30 N4 O16 Zn2
• Calculated formula: C24 H30 N4 O16 Zn2
• SMILES: C1(=O)c2cc(cc[n]2[Zn]([n]2ccc(cc2)c2cc[n](cc2)[Zn]2([n]3c(C(=O)O2)cc(cc3)C(=O)[O-])([OH2])([OH2])[OH2])(O1)([OH2])([OH2])[OH2])C(=O)[O-].O.O
• Title of publication: μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)zinc(II)] dihydrate
• Authors of publication: Xiu-Mei Li; Yan-Ling Niu; Qing-Wei Wang; Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m487 - m488
• a: 10.023 ± 0.002 Å
• b: 13.941 ± 0.003 Å
• c: 11.239 ± 0.002 Å
• α: 90°
• β: 106.478 ± 0.003°
• γ: 90°
• Cell volume: 1505.9 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes