Information card for entry 2018239

Structure parameters

• Common name: Nickel FDA
• Chemical name: Hexaaquanickel(ii) (2,5-furandicarboxylate)
• Formula: C6 H14 Ni O11
• Calculated formula: C6 H14 Ni O11
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C(=O)([O-])c1oc(cc1)C(=O)[O-]
• Title of publication: Magnesium and nickel(II) furan-2,5-dicarboxylate
• Authors of publication: Schau-Magnussen, Magnus; Gorbanev, Yury Y.; Kegnæs, Søren; Riisager, Anders
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m327 - m330
• a: 9.2242 ± 0.0005 Å
• b: 18.4255 ± 0.0009 Å
• c: 6.5942 ± 0.0008 Å
• α: 90°
• β: 102.066 ± 0.006°
• γ: 90°
• Cell volume: 1095.99 ± 0.16 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 4
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes