Information card for entry 2232680

Structure parameters

• Chemical name: Tetraaquabis(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2- yl]sulfanyl}acetato)cobalt(II) monohydrate
• Formula: C18 H22 Co N6 O11 S2
• Calculated formula: C18 H22 Co N6 O11 S2
• SMILES: [Co](OC(=O)CSc1oc(nn1)c1ccncc1)([OH2])([OH2])([OH2])([OH2])[n]1ccc(c2oc(SCC(=O)[O-])nn2)cc1.O
• Title of publication: Tetraaquabis(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetato)cobalt(II) monohydrate
• Authors of publication: Yang, Guang-Rui; Li, Guo-Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1746 - m1747
• a: 7.393 ± 0.004 Å
• b: 11.122 ± 0.006 Å
• c: 16.014 ± 0.008 Å
• α: 103.904 ± 0.006°
• β: 96.04 ± 0.006°
• γ: 103.017 ± 0.006°
• Cell volume: 1227.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes