Information card for entry 1564478

Structure parameters

• Formula: C22 H24 N2 O8 Zn
• Calculated formula: C22 H24 N2 O8 Zn
• SMILES: C(=O)(/C(NC(=O)C)=C/c1ccccc1)O[Zn]([OH2])(OC(=O)/C(NC(=O)C)=C/c1ccccc1)[OH2]
• Title of publication: Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)
• Authors of publication: Ejarque, Daniel; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 509
• Pages of publication: 119695
• a: 24.5715 ± 0.0009 Å
• b: 5.7176 ± 0.0002 Å
• c: 15.761 ± 0.0006 Å
• α: 90°
• β: 92.162 ± 0.002°
• γ: 90°
• Cell volume: 2212.69 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No