Information card for entry 2233279

Structure parameters

• Chemical name: Poly[[diaquabis(μ~2~-4,4'-bipyridyl)iron(II)] bis{2-[(3-carboxypyridin-2-yl)disulfanyl]nicotinate}]
• Formula: C44 H34 Fe N8 O10 S4
• Calculated formula: C44 H34 Fe N8 O10 S4
• Title of publication: Poly[[diaquabis(μ~2~-4,4'-bipyridyl)iron(II)] bis{2-[(3-carboxypyridin-2-yl)disulfanyl]nicotinate}]
• Authors of publication: Shan, Jie-Jie; Chai, Sheng-Yuan; Feng, Yun-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m28
• a: 11.5161 ± 0.0002 Å
• b: 11.6531 ± 0.0002 Å
• c: 16.3216 ± 0.0003 Å
• α: 90°
• β: 102.403 ± 0.001°
• γ: 90°
• Cell volume: 2139.21 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes