Information card for entry 2014423

Structure parameters

• Chemical name: trans-Diaquabis(5-carboxy-1H-imidazole-4-carboxylato-κ^2^N^3^,O^4^)cobalt(II) 4,4'-bipyridine solvate
• Formula: C20 H18 Co N6 O10
• Calculated formula: C20 H18 Co N6 O10
• SMILES: C1(=O)O[Co]2([n]3c1c(C(=O)O)[nH]c3)([n]1c(c(C(=O)O)[nH]c1)C(=O)O2)([OH2])[OH2].c1cc(c2ccncc2)ccn1
• Title of publication: <i>trans</i>-Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) 4,4'-bipyridine solvate
• Authors of publication: Yu-Ling Wang; Rong Cao; Wen-Hua Bi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m609 - m611
• a: 4.971 ± 0.002 Å
• b: 6.558 ± 0.003 Å
• c: 17.274 ± 0.008 Å
• α: 86.009 ± 0.009°
• β: 86.729 ± 0.008°
• γ: 72.526 ± 0.008°
• Cell volume: 535.5 ± 0.4 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: 0.0357
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes