Information card for entry 2242498

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-pyridine-2,6-dicarboxylato-\ calcium(II)-μ-pyridine-2,6-dicarboxylato] dihydrate]
• Formula: C14 H18 Ca Co N2 O14
• Calculated formula: C14 H18 Ca Co N2 O14
• SMILES: [Co]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(O2)=[O][Ca]([OH2])([OH2])([OH2])([OH2])[O]=C1O[Co]234(OC(=O)c5[n]3c1ccc5)OC(=O)c1[n]4c(ccc1)C(O2)=[O][Ca]([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Crystal structure of a heterometallic coordination polymer: <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-pyridine-2,6-dicarboxylato-calcium(II)-μ-pyridine-2,6-dicarboxylato] dihydrate]
• Authors of publication: Lin, Jie-Shuang; Zhang, Bing-Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 808 - 811
• a: 8.6299 ± 0.0008 Å
• b: 8.7781 ± 0.0008 Å
• c: 14.0726 ± 0.0012 Å
• α: 80.683 ± 0.001°
• β: 73.602 ± 0.001°
• γ: 89.568 ± 0.001°
• Cell volume: 1008.38 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0246
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No