Information card for entry 7023252

Structure parameters

• Formula: C11 H11 N2 O5 S Zn
• Calculated formula: C11 H11 N2 O5 S Zn
• Title of publication: Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.
• Authors of publication: Sun, Di; Xu, Meng-Zhen; Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Dao-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12324 - 12333
• a: 11.664 ± 0.005 Å
• b: 11.683 ± 0.005 Å
• c: 19.847 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2705 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No