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Information card for entry 1517693
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Coordinates | 1517693.cif |
---|
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 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 | 0.1327 |
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 |
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