Information card for entry 2222210

Structure parameters

• Chemical name: Tetraaquabis(4,4'-bipyridine)zinc(II) bis(<i>trans</i>-4-hydroxycinnamate)
• Formula: C38 H38 N4 O10 Zn
• Calculated formula: C38 H38 N4 O10 Zn
• SMILES: c1c(O)ccc(c1)/C=C/C(=O)[O-].n1ccc(cc1)c1cc[n](cc1)[Zn]([OH2])([OH2])([n]1ccc(c2ccncc2)cc1)([OH2])[OH2].c1cc(ccc1/C=C/C(=O)[O-])O
• Title of publication: Tetraaquabis(4,4'-bipyridine)zinc(II) bis(<i>trans</i>-4-hydroxycinnamate)
• Authors of publication: Chen, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m807
• a: 7.0884 ± 0.0004 Å
• b: 7.3966 ± 0.0004 Å
• c: 17.2518 ± 0.001 Å
• α: 86.972 ± 0.003°
• β: 83.872 ± 0.003°
• γ: 81.937 ± 0.003°
• Cell volume: 889.8 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes