Information card for entry 7040126

Structure parameters

• Formula: C20 H28 Cl2 Cu N4 O3 S
• Calculated formula: C20 H28 Cl2 Cu N4 O3 S
• SMILES: [Cu]12(Cl)(Cl)[S]=C(N[N]2=Cc2c(O1)c(cc(c2)C)C[NH+]1CCCC1CC(=O)O)N1CCCC1
• Title of publication: Structure-antiproliferative activity studies on l-proline- and homoproline-4-N-pyrrolidine-3-thiosemicarbazone hybrids and their nickel(ii), palladium(ii) and copper(ii) complexes.
• Authors of publication: Dobrova, Aliona; Platzer, Sonja; Bacher, Felix; Milunovic, Miljan N. M.; Dobrov, Anatolie; Spengler, Gabriella; Enyedy, Éva A; Novitchi, Ghenadie; Arion, Vladimir B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13427 - 13439
• a: 20.388 ± 0.0016 Å
• b: 14.1122 ± 0.0007 Å
• c: 15.9901 ± 0.0012 Å
• α: 90°
• β: 100.503 ± 0.006°
• γ: 90°
• Cell volume: 4523.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0975
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No