Information card for entry 2234372

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II)]- μ-2,3,5,6-tetrachloroterephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Formula: C14 H12 Cl4 Co N4 O6
• Calculated formula: C14 H12 Cl4 Co N4 O6
• SMILES: [Co]([OH2])([OH2])([n]1cc[nH]c1)([n]1cc[nH]c1)(OC(=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)C(=O)O[Co]([OH2])([OH2])([n]1cc[nH]c1)[n]1cc[nH]c1)OC(=O)c1c(Cl)c(Cl)c(C(=O)[O-])c(Cl)c1Cl
• Title of publication: <i>catena</i>-Poly[[diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II)]-μ-2,3,5,6-tetrachloroterephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Authors of publication: Zheng, Chang-Ge; Zhang, Peng; Li, Ping; Zhang, Pei-Pei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m368
• a: 18.646 ± 0.004 Å
• b: 12.068 ± 0.002 Å
• c: 10.741 ± 0.002 Å
• α: 90°
• β: 120.76 ± 0.03°
• γ: 90°
• Cell volume: 2076.9 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes