Information card for entry 7024563

Structure parameters

• Formula: C26 H40 N2 O4 S4 Zn
• Calculated formula: C26 H40 N2 O4 S4 Zn
• SMILES: [Zn]12(SC(=C\c3sccc3)/C(=O)O1)SC(=C\c1sccc1)/C(=O)O2.[NH2+](C(C)C)C(C)C.[NH2+](C(C)C)C(C)C
• Title of publication: Chemical and in vitro study of the potential of 3-(aryl)-2-sulfanylpropenoic acids and their Zn(II) complexes as protective agents against cadmium toxicity.
• Authors of publication: Casas, J. S.; Castellano, E. E.; Couce, M. D.; García-Vega, M; Sánchez, A; Sánchez-González, A; Sordo, J.; Varela, J. M.; Vázquez López, E M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3931 - 3943
• a: 14.068 ± 0.001 Å
• b: 15.065 ± 0.002 Å
• c: 16.045 ± 0.003 Å
• α: 90°
• β: 112.822 ± 0.01°
• γ: 90°
• Cell volume: 3134.3 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No