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Information card for entry 7060616
Preview
Coordinates | 7060616.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H22 N12 S2 Zn |
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Calculated formula | C32 H22 N12 S2 Zn |
Title of publication | Anticancer activity, DNA binding and docking study of M(ii)-complexes (M = Zn, Cu and Ni) derived from a new pyrazine‒thiazole ligand: synthesis, structure and DFT |
Authors of publication | Bera, Pradip; Aher, Abhishek; Brandao, Paula; Manna, Sunil Kumar; Bhattacharyya, Indranil; Mondal, Gopinath; Jana, Abhimanyu; Santra, Ananyakumari; Bera, Pulakesh |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 27 |
Pages of publication | 11999 - 12015 |
a | 37.6726 ± 0.0013 Å |
b | 9.0541 ± 0.0003 Å |
c | 18.5487 ± 0.0007 Å |
α | 90° |
β | 105.772 ± 0.001° |
γ | 90° |
Cell volume | 6088.6 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0557 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0743 |
Weighted residual factors for all reflections included in the refinement | 0.0841 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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