Information card for entry 7031186

Structure parameters

• Formula: C24 H34 Cl2 Cu N6 O8
• Calculated formula: C24 H34 Cl2 Cu N6 O8
• SMILES: C1[NH]2CC[NH]3CN(C[NH]4CC[NH](CN1CCc1ccccc1)[Cu]234(OCl(=O)(=O)=O)OCl(=O)(=O)=O)CCc1ccccc1
• Title of publication: Interaction of macrocyclic copper(ii) complexes with calf thymus DNA: effects of the side chains of the ligands on the DNA-binding behaviors
• Authors of publication: Liu, Jie; Zhang, Hao; Chen, Caihong; Deng, Hong; Lu, Tongbu; Ji, Liangnian
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 114 - 119
• a: 8.274 ± 0.002 Å
• b: 8.412 ± 0.002 Å
• c: 11.616 ± 0.002 Å
• α: 85.51 ± 0.03°
• β: 76.37 ± 0.03°
• γ: 68.25 ± 0.03°
• Cell volume: 729.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No