Information card for entry 2203195

Structure parameters

• Chemical name: Tetraaquabis(4-pyridylthioactetato)nickel(II)
• Formula: C14 H20 N2 Ni O8 S2
• Calculated formula: C14 H20 N2 Ni O8 S2
• SMILES: c1cc(cc[n]1[Ni]([OH2])([OH2])([n]1ccc(cc1)SCC(=O)[O-])([OH2])[OH2])SCC(=O)[O-]
• Title of publication: Tetraaquabis(4-pyridylthioacetato)nickel(II)
• Authors of publication: Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m135 - m136
• a: 7.4924 ± 0.0005 Å
• b: 10.4589 ± 0.0007 Å
• c: 12.1369 ± 0.0008 Å
• α: 90°
• β: 107.393 ± 0.001°
• γ: 90°
• Cell volume: 907.59 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes