Information card for entry 2016562

Structure parameters

• Chemical name: Bis{μ-(<i>E</i>)-2-[(2-pyridylamino)(2- pyridylimino)methyl]benzato}bis[acetatozinc(II)] tetrahydrate
• Formula: C40 H40 N8 O12 Zn2
• Calculated formula: C40 H40 N8 O12 Zn2
• SMILES: C1(=O)c2ccccc2C2=[N]3c4[n](cccc4)[Zn]3([n]3c(N2)cccc3)(OC(=O)C)OC(=O)c2ccccc2C2=[N]3c4[n](cccc4)[Zn]3(O1)([n]1c(N2)cccc1)OC(=O)C.O.O.O.O
• Title of publication: Bis{μ-(<i>E</i>)-2-[(2-pyridylamino)(2-pyridylimino)methyl]benzato}bis[acetatozinc(II)] tetrahydrate
• Authors of publication: Zhu, Li-Na; Gao, Shan; Huo, Li-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m182 - m184
• a: 13.718 ± 0.003 Å
• b: 15.433 ± 0.003 Å
• c: 20.526 ± 0.004 Å
• α: 90°
• β: 108.83 ± 0.03°
• γ: 90°
• Cell volume: 4113 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes