Information card for entry 1508916

Structure parameters

• Formula: C18 H18 Cu N6 S2
• Calculated formula: C18 H18 Cu N6 S2
• SMILES: [Cu]123SC(=N[N]3=CC=[N]2N=C(S1)N(C)c1ccccc1)N(c1ccccc1)C
• Title of publication: In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes.
• Authors of publication: Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2013
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 722 - 734
• a: 31.372 ± 0.003 Å
• b: 7.5677 ± 0.0008 Å
• c: 7.9918 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1897.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No