Information card for entry 2214929

Structure parameters

• Chemical name: Diaquabis(5-n-butylpyridine-2-carboxylato)cobalt(II)
• Formula: C20 H28 Co N2 O6
• Calculated formula: C20 H28 Co N2 O6
• SMILES: [Co]12([n]3c(C(=O)O1)ccc(c3)CCCC)([n]1c(C(=O)O2)ccc(c1)CCCC)([OH2])[OH2]
• Title of publication: Diaquabis(5-<i>n</i>-butylpyridine-2-carboxylato)cobalt(II)
• Authors of publication: Run-Zhen Fan; Wen-Dong Song; Xiao-Min Hao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2214 - m2214
• a: 5.1378 ± 0.0001 Å
• b: 34.0034 ± 0.0009 Å
• c: 7.5922 ± 0.0002 Å
• α: 90°
• β: 124.181 ± 0.002°
• γ: 90°
• Cell volume: 1097.27 ± 0.05 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes