Information card for entry 2018022

Structure parameters

• Chemical name: hexaaquacobalt(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6- dicarboxylato)nickelate(III)] dihydrate
• Formula: C28 H28 Bi2 N4 Ni O24
• Calculated formula: C28 H28 Bi2 N4 Ni O24
• SMILES: [n]12[Bi]345([n]6c(C(=O)O3)cccc6C(=O)O4)OC(=O)c2cccc1C(O[Bi]123([n]4c(C(=O)O5)cccc4C(=O)O1)[n]1c(C(O2)=O)cccc1C(=O)O3)=O.O.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O
• Title of publication: Hexaaquacobalt(II) and hexaaquanickel(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6-dicarboxylato)bismuthate(III)] dihydrate
• Authors of publication: Stavila, Vitalie; Bulimestru, Ion; Gulea, Aurelian; Colson, Adam C.; Whitmire, Kenton H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m65 - m68
• a: 7.2615 ± 0.0015 Å
• b: 11.21 ± 0.002 Å
• c: 12.014 ± 0.002 Å
• α: 112.96 ± 0.03°
• β: 90.79 ± 0.03°
• γ: 97.33 ± 0.03°
• Cell volume: 891 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No