Information card for entry 2214768

Structure parameters

• Chemical name: catena-Poly[[diaquacobalt(II)]-μ~3~-5-aminoisophthalato- κ^4^O,<i>O</i>':<i>O</i>'':<i>N</i>]
• Formula: C8 H9 Co N O6
• Calculated formula: C8 H9 Co N O6
• SMILES: [Co]123([OH2])([OH2])[NH2]c4cc(cc(c4)C4=[O][Co](O4)([OH2])([OH2])[NH2]c4cc(cc(c4)C(=[O]1)O2)C(=O)[O-])C(=O)O[Co]12([OH2])([OH2])[NH2]c4cc(cc(c4)C4=[O][Co](O4)([OH2])([OH2])[NH2]c4cc(cc(c4)C(=[O]1)O2)C(=O)[O-])C(=O)O3
• Title of publication: <i>catena</i>-Poly[[diaquacobalt(II)]-μ~3~-5-aminoisophthalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>N</i>]
• Authors of publication: Yang, Yan; Zeng, Ming-Hua; Zhang, Shu-Hua; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2056 - m2057
• a: 6.4168 ± 0.0004 Å
• b: 8.0919 ± 0.0004 Å
• c: 10.1493 ± 0.0007 Å
• α: 113.184 ± 0.001°
• β: 99.946 ± 0.003°
• γ: 98.995 ± 0.002°
• Cell volume: 462.28 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes