Information card for entry 4313401

Structure parameters

• Formula: C8 H13 Cl2 Cu N5 O3 S
• Calculated formula: C32 H52 Cl8 Cu4 N20 O12 S4
• SMILES: [Cu]12([N](NC(=[S]1)N(C)C)=CC1=CNC(=O)NC1=[O]2)(Cl)Cl.[Cl-].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: 9.035 ± 0.003 Å
• b: 9.888 ± 0.003 Å
• c: 15.83 ± 0.006 Å
• α: 90 ± 0°
• β: 101.23 ± 0.06°
• γ: 90 ± 0°
• Cell volume: 1387.1 ± 0.9 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: 0.1109
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections: 0.1751
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No