Information card for entry 2214010

Structure parameters

• Chemical name: catena-Poly[[diaquanickel(II)]-bis[μ-(4-pyridylsulfanyl)acetato- κ²N:O;κ²O:N]]
• Formula: C14 H16 N2 Ni O6 S2
• Calculated formula: C14 H16 N2 Ni O6 S2
• SMILES: [Ni]1([OH2])([OH2])(OC(=O)CSc2cc[n](cc2)[Ni](OC(=O)CSc2cc[n]1cc2)([OH2])[OH2])(OC(=O)CSc1ccncc1)[n]1ccc(SCC(=O)[O-])cc1
• Title of publication: <i>catena</i>-Poly[[diaquanickel(II)]-bis[μ-(4-pyridylsulfanyl)acetato-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>]]
• Authors of publication: Xi-Ping Luo; Lei Han
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1745 - m1745
• a: 8.9232 ± 0.0009 Å
• b: 10.6901 ± 0.001 Å
• c: 8.8887 ± 0.0009 Å
• α: 90°
• β: 90.378 ± 0.003°
• γ: 90°
• Cell volume: 847.87 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes