Information card for entry 2219488

Structure parameters

• Chemical name: Poly[[diaqua(μ~2~-4,4'-dipyridyl sulfide-κ^2^<i>N</i>:<i>N</i>')(4,4'-dipyridyl sulfide-κ<i>N</i>)(2-hydroxy-5-sulfonatobenzoato-κ<i>O</i>^1^)nickel(II)] dihydrate]
• Formula: C27 H28 N4 Ni O10 S3
• Calculated formula: C27 H28 N4 Ni O10 S3
• Title of publication: Poly[[diaqua(μ~2~-4,4'-dipyridyl sulfide-κ^2^<i>N</i>:<i>N</i>')(4,4'-dipyridyl sulfide-κ<i>N</i>)(2-hydroxy-5-sulfonatobenzoato-κ<i>O</i>^1^)nickel(II)] dihydrate]
• Authors of publication: Du, Zhong-Xiang; Li, Jun-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1278 - m1279
• a: 11.4649 ± 0.001 Å
• b: 13.9441 ± 0.0012 Å
• c: 20.7051 ± 0.0018 Å
• α: 90°
• β: 96.552 ± 0.001°
• γ: 90°
• Cell volume: 3288.5 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes