Information card for entry 2217233

Structure parameters

• Chemical name: Bis(guanidinium) bis(4-hydroxypyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)nickelate(II) dihydrate
• Formula: C16 H22 N8 Ni O12
• Calculated formula: C16 H22 N8 Ni O12
• SMILES: [Ni]1234(OC(=O)c5[n]3c(cc(O)c5)C(=O)O1)OC(=O)c1[n]4c(cc(O)c1)C(=O)O2.O.O.NC(=[NH2+])N.[NH2+]=C(N)N
• Title of publication: Bis(guanidinium) bis(4-hydroxypyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickelate(II) dihydrate
• Authors of publication: Aghabozorg, Hossein; Motyeian, Elham; Attar Gharamaleki, Jafar; Soleimannejad, Janet; Ghadermazi, Mohammad; Elizabeth Spey Sharon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m144 - m145
• a: 8.9253 ± 0.0006 Å
• b: 9.906 ± 0.0006 Å
• c: 13.2186 ± 0.0009 Å
• α: 101.415 ± 0.003°
• β: 103.099 ± 0.003°
• γ: 91.938 ± 0.003°
• Cell volume: 1111.99 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes