Information card for entry 2206036

Structure parameters

• Chemical name: Hexaaquanickel(II) bis(6-hydroxypyridine-3-carboxylate)
• Formula: C12 H20 N2 Ni O12
• Calculated formula: C12 H20 N2 Ni O12
• Title of publication: Hexaaquanickel(II) bis(6-hydroxypyridine-3-carboxylate)
• Authors of publication: Zhang, Xue-Li; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1142 - m1143
• a: 11.556 ± 0.001 Å
• b: 9.767 ± 0.001 Å
• c: 7.5422 ± 0.0008 Å
• α: 90°
• β: 91.32 ± 0.002°
• γ: 90°
• Cell volume: 851.04 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes