Information card for entry 7001153

Structure parameters

• Formula: C15 H18 Cl2 Cu N3 O10
• Calculated formula: C15 H18 Cl2 Cu N3 O10
• Title of publication: Synthesis, X-ray crystal structures, magnetism, and DNA cleavage properties of copper(ii) complexes with 1,4-tpbd ligand
• Authors of publication: Li, Dongdong; Tian, Jinlei; Kou, Yingying; Huang, Fuping; Chen, Gongjun; Gu, Wen; Liu, Xin; Liao, Daizheng; Cheng, Peng; Yan, Shiping
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 18
• Pages of publication: 3574 - 3583
• a: 10.428 ± 0.005 Å
• b: 17.954 ± 0.008 Å
• c: 10.785 ± 0.005 Å
• α: 90°
• β: 107.41 ± 0.007°
• γ: 90°
• Cell volume: 1926.7 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No