Information card for entry 2240891

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquacobalt(II)]-bis[μ-5-(4-carboxylatophenyl)picolinato]-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^-[diaquacobalt(II)]-μ-1-[4-(1<i>H</i>-imidazol-1-yl)phenyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
• Formula: C19 H16 Co N3 O6
• Calculated formula: C19 H16 Co N3 O6
• SMILES: [Co]12([OH2])([OH2])([n]3cn(cc3)c3ccc(n4cncc4)cc3)OC(=O)c3ccc(cc3)c3c[n]4c(cc3)C(=O)O[Co]4(OC(=O)c3ccc(cc3)c3c[n]1c(cc3)C(=O)O2)([OH2])([OH2])[n]1cn(cc1)c1ccc(cc1)n1c[n](cc1)[Co]12([OH2])([OH2])OC(=O)c3ccc(cc3)c3c[n]4c(cc3)C(=O)O[Co]4(OC(=O)c3ccc(cc3)c3c[n]1c(cc3)C(=O)O2)([OH2])[OH2]
• Title of publication: Crystal structure of <i>catena</i>-poly[[diaquacobalt(II)]-bis[μ-5-(4-carboxyylatophenyl)picolinato]-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^-[diaquacobalt(II)]-μ-1-[4-(1<i>H</i>-imidazol-1-yl)phenyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
• Authors of publication: Xu, Guo-Wang; Wang, Ye-Nan; Wang, Hai-Bing; Wang, Zhong-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: m145 - m146
• a: 7.055 ± 0.003 Å
• b: 7.19 ± 0.003 Å
• c: 20.038 ± 0.01 Å
• α: 80.25 ± 0.02°
• β: 79.9 ± 0.02°
• γ: 64.08 ± 0.015°
• Cell volume: 895.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes