Information card for entry 2214362

Structure parameters

• Chemical name: Piperazinium hexaaquacobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] octahydrate
• Formula: C32 H52 Co3 N6 O30
• Calculated formula: C32 H52 Co3 N6 O30
• SMILES: C1(=O)O[Co]234([n]5c(C(=O)O2)cccc15)[n]1c(C(=O)O3)cccc1C(=O)O4.[NH2+]1CC[NH2+]CC1.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.C1(=O)c2cccc3C(=O)O[Co]45([n]23)([n]2c(C(=O)O4)cccc2C(=O)O5)O1.O.O.O.O
• Title of publication: Piperazinium hexaaquacobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] octahydrate
• Authors of publication: Aghabozorg, Hossein; Attar Gharamaleki, Jafar; Ghadermazi, Mohammad; Ghasemikhah, Pouya; Soleimannejad, Janet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1803 - m1804
• a: 8.4682 ± 0.001 Å
• b: 11.9287 ± 0.0014 Å
• c: 12.9091 ± 0.0015 Å
• α: 63.478 ± 0.002°
• β: 78.683 ± 0.002°
• γ: 83.063 ± 0.002°
• Cell volume: 1143.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0972
• 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: Yes