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Information card for entry 7060617
Preview
Coordinates | 7060617.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H22 Cl N12 Ni O4 S2 |
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Calculated formula | C32 H22 Cl N12 Ni O4 S2 |
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 | 9.7741 ± 0.0011 Å |
b | 12.1509 ± 0.0013 Å |
c | 14.074 ± 0.0016 Å |
α | 94.392 ± 0.004° |
β | 90.811 ± 0.004° |
γ | 94.002 ± 0.004° |
Cell volume | 1662.2 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0791 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1156 |
Weighted residual factors for all reflections included in the refinement | 0.1315 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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