Information card for entry 2311593

Structure parameters

• Chemical name: Poly[[(4-hydroxypyridine-2,6-dicarboxylato)zinc(II)] monohydrate]
• Formula: C14 H10 N2 O12 Zn2
• Calculated formula: C14 H10 N2 O12 Zn2
• Title of publication: Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!
• Authors of publication: Kremer, Marius; Englert, Ulli
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2019
• Journal volume: 75
• Journal issue: Pt 6
• Pages of publication: 903 - 911
• a: 10.05 ± 0.001 Å
• b: 10.05 ± 0.001 Å
• c: 16.506 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1667.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No