Information card for entry 2019727

Structure parameters

• Common name: Di(4-pyridinealdoxime)[pyridine-2,6-dicarboxylato-k2O2,N,O6]-zinc(II)
• Chemical name: (Pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)bis[<i>N</i>-\ (pyridin-4-ylmethylidene)hydroxylamine-κ<i>N</i>^1^]zinc(II)
• Formula: C19 H15 N5 O6 Zn
• Calculated formula: C19 H15 N5 O6 Zn
• SMILES: c1cc(cc[n]1[Zn]12([n]3c(C(=O)O1)cccc3C(=O)O2)[n]1ccc(cc1)/C=N/O)/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: 6.7644 ± 0.0002 Å
• b: 18.5124 ± 0.0005 Å
• c: 15.3595 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1923.4 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0834
• 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