Information card for entry 2019726

Structure parameters

• Common name: 4-[(Hydroxyimino)methyl]pyridinium diaquabis[pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^]zinc(II)
• Chemical name: Bis{4-[(hydroxyimino)methyl]pyridinium} diaquabis[pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^]zincate(II)
• Formula: C26 H24 N6 O12 Zn
• Calculated formula: C26 H24 N6 O12 Zn
• SMILES: c1cc(cc[nH+]1)/C=N/O.[OH2][Zn]12([n]3c(C(=O)O1)ccc(c3)C(=O)[O-])([n]1c(C(=O)O2)ccc(c1)C(=O)[O-])[OH2].c1cc(cc[nH+]1)/C=N/O
• Title of publication: Two Zn^II^ mononuclear coordination compounds with pyridinedicarboxylate and auxiliary <i>N</i>-(pyridin-4-ylmethylidene)hydroxylamine ligands
• Authors of publication: Coropceanu, Eduard B.; Dreab, Ana; Croitor, Lilia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• a: 7.2649 ± 0.0003 Å
• b: 10.6796 ± 0.0003 Å
• c: 17.4288 ± 0.0005 Å
• α: 90°
• β: 96.823 ± 0.003°
• γ: 90°
• Cell volume: 1342.66 ± 0.08 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: 0.043
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes