Information card for entry 2219897

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(pyridine-2,6-dicarboxylato N-oxide- κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(II)]-μ-1,3-di-4-pyridylpropane- κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Formula: C20 H23 Co N3 O8
• Calculated formula: C20 H23 Co N3 O8
• SMILES: [Co]1([O]=n2c(C(=O)O1)cccc2C(=O)[O-])([n]1ccc(CCCc2ccncc2)cc1)([OH2])[n]1ccc(cc1)CCCc1cc[n]([Co]2([O]=n3c(C(=O)O2)cccc3C(=O)[O-])[OH2])cc1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[aqua(pyridine-2,6-dicarboxylato <i>N</i>-oxide-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(II)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Authors of publication: Wang, Li-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1415 - m1416
• a: 10.2712 ± 0.0012 Å
• b: 11.5251 ± 0.0013 Å
• c: 18.309 ± 0.002 Å
• α: 90°
• β: 90.521 ± 0.002°
• γ: 90°
• Cell volume: 2167.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes