Information card for entry 7034972

Structure parameters

• Formula: C15 H28 Cl2 Cu N6 O2 S
• Calculated formula: C15 H28 Cl2 Cu N6 O2 S
• SMILES: [Cu]123(SC(=N[N]2=Cc2[n]1c(ccc2)C[N]13CC[NH+](CC1)C)N(C)C)Cl.[Cl-].O.O
• Title of publication: Strong effect of copper(ii) coordination on antiproliferative activity of thiosemicarbazone-piperazine and thiosemicarbazone-morpholine hybrids.
• Authors of publication: Bacher, Felix; Dömötör, Orsolya; Chugunova, Anastasia; Nagy, Nóra V; Filipović, Lana; Radulović, Siniša; Enyedy, Éva A; Arion, Vladimir B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 9071 - 9090
• a: 7.6629 ± 0.0003 Å
• b: 11.7864 ± 0.0003 Å
• c: 13.0949 ± 0.0004 Å
• α: 72.1141 ± 0.0011°
• β: 73.6132 ± 0.0012°
• γ: 74.3107 ± 0.0011°
• Cell volume: 1057.72 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No