Information card for entry 2232779

Structure parameters

• Chemical name: Poly[di-μ~2~-aqua-μ~5~-(pyridine-2,6-dicarboxylato)-μ~3~-(pyridine- 2,6-dicarboxylato)-cobalt(II)disodium]
• Formula: C14 H10 Co N2 Na2 O10
• Calculated formula: C14 H10 Co N2 Na2 O10
• SMILES: [Co]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.[Na+].[Na+].O.O
• Title of publication: Poly[di-μ~2~-aqua-μ~5~-(pyridine-2,6-dicarboxylato)-μ~3~-(pyridine-2,6-dicarboxylato)-cobalt(II)disodium]
• Authors of publication: Boyko, Alexander N.; Golenya, Irina A.; Izotova, Yulia A.; Haukka, Matti; Prisyazhnaya, Elena V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1782 - m1783
• a: 7.954 ± 0.0003 Å
• b: 13.2187 ± 0.0003 Å
• c: 15.1475 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1592.63 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes