Information card for entry 2208480

Structure parameters

• Chemical name: catena-Poly[[dddiaquabis[(4-tolylsulfanyl)acetato-κO]nickel(II)]- μ-4,4'-bipyridine-κ^2^N:N']
• Formula: C28 H30 N2 Ni O6 S2
• Calculated formula: C28 H30 N2 Ni O6 S2
• SMILES: [Ni](OC(=O)CSc1ccc(C)cc1)([OH2])(OC(=O)CSc1ccc(C)cc1)([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Ni](OC(=O)CSc1ccc(C)cc1)(OC(=O)CSc1ccc(C)cc1)([OH2])([OH2])[n]1ccc(cc1)c1ccncc1
• Title of publication: <i>catena</i>-Poly[[diaquabis[(4-tolylsulfanyl)acetato-κ<i>O</i>]nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Hong Lin; Hong Su; Yun-long Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m747 - m749
• a: 21.649 ± 0.004 Å
• b: 11.271 ± 0.002 Å
• c: 11.05 ± 0.002 Å
• α: 90°
• β: 92.59 ± 0.03°
• γ: 90°
• Cell volume: 2693.5 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No