Information card for entry 1517692

Structure parameters

• Formula: C70 H62 N16 O14 Zn
• Calculated formula: C70 H62 N16 O14 Zn
• SMILES: c1([O-])c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.[Zn]1234([N](Cc5ccccc5)(Cc5n(CC=C)c6ccccc6[n]15)Cc1n(CC=C)c5ccccc5[n]21)[N](Cc1ccccc1)(Cc1[n]3c2c(n1CC=C)cccc2)Cc1[n]4c2c(n1CC=C)cccc2.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• 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: 13.9646 ± 0.0018 Å
• b: 13.9853 ± 0.0018 Å
• c: 19.18 ± 0.002 Å
• α: 89.865 ± 0.002°
• β: 69.684 ± 0.001°
• γ: 73.887 ± 0.001°
• Cell volume: 3356.4 ± 0.7 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: 0.0908
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No