Information card for entry 4313402

Structure parameters

• Formula: C7 H13 Cu N7 O10 S
• Calculated formula: C28 H52 Cu4 N28 O40 S4
• SMILES: [Cu]12([O]=C3C(C=[N]2NC(=[S]1)NC)=CNC(=O)N3)(ON(=O)=O)([OH2])[OH2].O=N(=O)[O-]
• Title of publication: Cu(II) Complexes with Heterocyclic Substituted Thiosemicarbazones: The Case of 5-Formyluracil. Synthesis, Characterization, X-ray Structures, DNA Interaction Studies, and Biological Activity
• Authors of publication: Monica Baldini; Marisa Belicchi-Ferrari; Franco Bisceglie; Giorgio Pelosi; Silvana Pinelli; Pieralberto Tarasconi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2049 - 2055
• a: 15.696 ± 0.006 Å
• b: 13.236 ± 0.003 Å
• c: 7.515 ± 0.002 Å
• α: 90 ± 0°
• β: 94.49 ± 0.05°
• γ: 90 ± 0°
• Cell volume: 1556.5 ± 0.8 ų
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for all reflections: 0.249
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No