Information card for entry 7024562

Structure parameters

• Formula: C30 H42 Cl2 N2 O4 S2 Zn
• Calculated formula: C30 H42 Cl2 N2 O4 S2 Zn
• SMILES: [NH2+](C(C)C)C(C)C.C1(=O)C(S[Zn]2(O1)OC(=O)C(S2)=Cc1c(cccc1)Cl)=Cc1c(cccc1)Cl.[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: 14.415 ± 0.002 Å
• b: 7.7905 ± 0.0011 Å
• c: 17.9381 ± 0.0018 Å
• α: 90°
• β: 120.395 ± 0.008°
• γ: 90°
• Cell volume: 1737.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No