Information card for entry 1508180

Structure parameters

• Formula: C56 H44 Cd N18 O16
• Calculated formula: C56 H44 Cd N18 O16
• SMILES: c12cccc3c4[nH]c5ccccc5[n]4[Cd]45([n]23)([n]2c1[nH]c1ccccc21)[n]1c(c2cccc(c3[nH]c6ccccc6[n]43)[n]52)[nH]c2ccccc12.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.CN(C)C=O.CN(C)C=O
• Title of publication: Two zinc(II) and cadmium(II) complexes based on the V-shaped ligand 2,6-bis(2-benzimidazolyl)pyridine: Synthesis, crystal structure, DNA-binding properties and antioxidant activities
• Authors of publication: Wu, Hui-Lu; Yuan, Jing-Kun; Huang, Xing-Cai; Kou, Fan; Liu, Bin; Jia, Fei; Wang, Kai-Tong; Bai, Ying
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 390
• Pages of publication: 12 - 21
• a: 14.255 ± 0.003 Å
• b: 26.996 ± 0.005 Å
• c: 20.182 ± 0.006 Å
• α: 90°
• β: 132.768 ± 0.018°
• γ: 90°
• Cell volume: 5702 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No