Information card for entry 1517693

Structure parameters

• Formula: C66 H58 N18 O15 Zn
• Calculated formula: C66 H58 N18 O15 Zn
• SMILES: [Zn]1234([N](Cc5ccccc5)(Cc5[n]1c1c([nH]5)cccc1)Cc1[n]2c2c([nH]1)cccc2)[N](Cc1ccccc1)(Cc1[nH]c2ccccc2[n]31)Cc1[nH]c2ccccc2[n]41.[O-]c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.O(CC)CC.N#CC.N#CC
• Title of publication: Synthesis, crystal structure, DNA-binding properties and antioxidant activity of zinc(II) complexes based on the V-shaped bis(2-benzimidazol-2-ylmethyl)benzylamine ligand and its derivative
• Authors of publication: Huilu Wu; Jingkun Yuan; Yanhui Zhang; Furong Shi; Guolong Pan; Jin Kong; Xuyang Fan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 13 - 22
• a: 9.0858 ± 0.0019 Å
• b: 14.183 ± 0.003 Å
• c: 27.894 ± 0.006 Å
• α: 97.17 ± 0.003°
• β: 90.767 ± 0.003°
• γ: 97.217 ± 0.003°
• Cell volume: 3536.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No