Information card for entry 2208971

Structure parameters

• Chemical name: trans-Tetraaquabis[3-(4-pyridyl)acrylato-κN]zinc(II)
• Formula: C16 H20 N2 O8 Zn
• Calculated formula: C16 H20 N2 O8 Zn
• SMILES: c1c(ccc[n]1[Zn]([OH2])([OH2])([n]1cc(ccc1)/C=C/C(=O)[O-])([OH2])[OH2])/C=C/C(=O)[O-]
• Title of publication: <i>trans</i>-Tetraaquabis[3-(4-pyridyl)acrylato-κ<i>N</i>]zinc(II)
• Authors of publication: E. Yang; Qi-Yan Chen; Gu-Yong Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1043 - m1044
• a: 11.243 ± 0.002 Å
• b: 7.0251 ± 0.0008 Å
• c: 12.93 ± 0.002 Å
• α: 90°
• β: 120.687 ± 0.011°
• γ: 90°
• Cell volume: 878.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes