Information card for entry 7224545

Structure parameters

• Formula: C10 H15 Cl Cu N4 O3 S
• Calculated formula: C10 H15 Cl Cu N4 O3 S
• SMILES: c12c(c(cnc1C)CO)C=[N]1NC(N)=[S][Cu]1(O2)[OH]C.[Cl-]
• Title of publication: Antiproliferative activity of cationic and neutral thiosemicarbazone copper(ii) complexes
• Authors of publication: Mohamed Subarkhan, M.; Prabhu, R. N.; Raj Kumar, R.; Ramesh, R.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 30
• Pages of publication: 25082
• a: 7.685 ± 0.004 Å
• b: 9.476 ± 0.005 Å
• c: 10.132 ± 0.005 Å
• α: 99.684 ± 0.008°
• β: 102.043 ± 0.009°
• γ: 94.185 ± 0.008°
• Cell volume: 706.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0677
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1288
• 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