Information card for entry 1508918

Structure parameters

• Formula: C14 H24 Cu N6 S2
• Calculated formula: C14 H22 Cu N6 S2
• SMILES: [Cu]123SC(=N[N]3=C(C(=[N]2N=C(S1)N1CCCC1)C)C)N1CCCC1
• 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: 7.58 ± 0.005 Å
• b: 12.83 ± 0.005 Å
• c: 18.298 ± 0.005 Å
• α: 98.489 ± 0.005°
• β: 99.605 ± 0.005°
• γ: 91.102 ± 0.005°
• Cell volume: 1733.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1684
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No