Information card for entry 2218987

Structure parameters

• Chemical name: <i>trans</i>-tetraaquabis](4-pyridylsulfanyl)acetato-<i>κN</i>]cobalt(II)
• Formula: C14 H20 Co N2 O8 S2
• Calculated formula: C14 H20 Co N2 O8 S2
• SMILES: c1cc(cc[n]1[Co]([OH2])([OH2])([n]1ccc(cc1)SCC(=O)[O-])([OH2])[OH2])SCC(=O)[O-]
• Title of publication: Monoclinic polymorph of <i>trans</i>-tetraaquabis[(4-pyridylsulfanyl)acetato-<i>{κ</i>N}]cobalt(II)
• Authors of publication: Mikloš, Dušan; Miklovič, Jozef; Moncol, Jan; Segľa, Peter; Koman, Marian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1089
• a: 12.173 ± 0.001 Å
• b: 10.479 ± 0.001 Å
• c: 7.523 ± 0.002 Å
• α: 90°
• β: 106.78 ± 0.03°
• γ: 90°
• Cell volume: 918.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes