Information card for entry 7040123

Structure parameters

• Formula: C19 H26 Cl2 N4 O3 Pd S
• Calculated formula: C19 H26 Cl2 N4 O3 Pd S
• SMILES: [Pd]12([N](NC(=[S]1)N1CCCC1)=Cc1c(O2)c(cc(c1)C)C[NH+]1CCC[C@H]1C(=O)O)Cl.[Cl-]
• 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: 6.9628 ± 0.0005 Å
• b: 18.5602 ± 0.0013 Å
• c: 17.4498 ± 0.0012 Å
• α: 90°
• β: 101.011 ± 0.002°
• γ: 90°
• Cell volume: 2213.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No