Information card for entry 2220714

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaqua(4,4'-trimethylenedipyridine-κ<i>N</i>)cobalt(II)]- μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Formula: C34 H36 Co N4 O6
• Calculated formula: C34 H36 Co N4 O6
• SMILES: [Co]([OH2])([OH2])([n]1ccc(CCCc2ccncc2)cc1)([n]1ccc(cc1)CCCc1ccncc1)OC(=O)c1ccc(cc1)C(=O)O[Co](OC(=O)c1ccc(C(=O)[O-])cc1)([OH2])([OH2])([n]1ccc(cc1)CCCc1ccncc1)[n]1ccc(cc1)CCCc1ccncc1
• Title of publication: <i>catena</i>-Poly[[diaqua(4,4'-trimethylenedipyridine-κ<i>N</i>)cobalt(II)]-μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Authors of publication: Qi, Xu-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m135
• a: 11.232 ± 0.002 Å
• b: 9.3784 ± 0.0019 Å
• c: 15.182 ± 0.003 Å
• α: 90°
• β: 96.19 ± 0.03°
• γ: 90°
• Cell volume: 1589.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0896
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes