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Information card for entry 1517692
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Coordinates | 1517692.cif |
---|
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 Å3 |
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 |
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