Information card for entry 2311590

Structure parameters

• Chemical name: Bis(6-carboxypicolinato)zinc(II) trihydrate
• Formula: C14 H14 N2 O11 Zn
• Calculated formula: C14 H13.95 N2 O10.975 Zn
• 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: 13.9953 ± 0.0008 Å
• b: 10.0081 ± 0.0006 Å
• c: 13.733 ± 0.0008 Å
• α: 90°
• β: 116.43 ± 0.0014°
• γ: 90°
• Cell volume: 1722.48 ± 0.18 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No