Information card for entry 2311591

Structure parameters

• Chemical name: Bis(6-carboxypicolinato)nickel(II) trihydrate
• Formula: C14 H14 N2 Ni O11
• Calculated formula: C14 H13.934 N2 Ni O10.967
• 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: 13.6651 ± 0.0015 Å
• b: 10.0207 ± 0.0011 Å
• c: 13.7696 ± 0.0015 Å
• α: 90°
• β: 115.109 ± 0.002°
• γ: 90°
• Cell volume: 1707.3 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No