Information card for entry 7224546

Structure parameters

• Formula: C18 H24 Cl Cu N5 O4 S
• Calculated formula: C18 H24 Cl Cu N5 O4 S
• SMILES: c12c(c(cnc1C)CO)C=[N]1NC(Nc3ccccc3)=[S][Cu]1(O2)Cl.C(=O)N(C)C.O
• 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: 24.526 ± 0.013 Å
• b: 10.497 ± 0.006 Å
• c: 16.882 ± 0.009 Å
• α: 90°
• β: 95.056 ± 0.008°
• γ: 90°
• Cell volume: 4329 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No