Information card for entry 2311595

Structure parameters

• Chemical name: Triaqua(4-hydroxypyridine-2,6-dicarboxylato)nickel(II) 1.7-hydrate
• Formula: C7 H12.4 N Ni O9.7
• Calculated formula: C7 H12.398 N Ni O9.699
• 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: 14.7249 ± 0.0011 Å
• b: 6.8538 ± 0.0005 Å
• c: 22.351 ± 0.0016 Å
• α: 90°
• β: 90.355 ± 0.001°
• γ: 90°
• Cell volume: 2255.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No