Information card for entry 7001152

Structure parameters

• Formula: C30 H28 Br2 Cu N6
• Calculated formula: C30 H27 Br2 Cu N6
• SMILES: [Cu]12(Br)(Br)[n]3ccccc3C[N]2(Cc2[n]1cccc2)c1ccc(N(Cc2ncccc2)Cc2ncccc2)cc1
• 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: 8.372 ± 0.004 Å
• b: 12.813 ± 0.006 Å
• c: 13.103 ± 0.007 Å
• α: 90°
• β: 105.509 ± 0.005°
• γ: 90°
• Cell volume: 1354.4 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No