Information card for entry 4313400

Structure parameters

• Formula: C7 H11 Cl2 Cu N5 O3 S
• Calculated formula: C28 H44 Cl8 Cu4 N20 O12 S4
• SMILES: [Cu]12(Cl)(Cl)[S]=C(NC)N[N]2=CC2C(=[O]1)NC(=O)NC=2.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: 9.077 ± 0.001 Å
• b: 9.444 ± 0.001 Å
• c: 15.499 ± 0.002 Å
• α: 90 ± 0°
• β: 101.76 ± 0.01°
• γ: 90 ± 0°
• Cell volume: 1300.7 ± 0.3 ų
• Number of distinct elements: 7
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections: 0.0731
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No