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Information card for entry 7059664
Preview
Coordinates | 7059664.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H18 N4 O2 S2 V |
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Calculated formula | C23 H18 N4 O2 S2 V |
SMILES | [V]123(=O)(SC(=N[N]1=Cc1c4ccccc4ccc1O2)SC)[n]1ccccc1c1cccc[n]31 |
Title of publication | Synthesis, structure and characterization of new dithiocarbazate-based mixed ligand oxidovanadium(iv) complexes: DNA/HSA interaction, cytotoxic activity and DFT studies |
Authors of publication | Banerjee, Atanu; Mohanty, Monalisa; Lima, Sudhir; Samanta, Rajib; Garribba, Eugenio; Sasamori, Takahiro; Dinda, Rupam |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 26 |
Pages of publication | 10946 - 10963 |
a | 12.079 ± 0.0002 Å |
b | 9.1906 ± 0.0001 Å |
c | 20.2738 ± 0.0003 Å |
α | 90° |
β | 104.359 ± 0.001° |
γ | 90° |
Cell volume | 2180.35 ± 0.05 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0946 |
Residual factor for significantly intense reflections | 0.0856 |
Weighted residual factors for significantly intense reflections | 0.1997 |
Weighted residual factors for all reflections included in the refinement | 0.2076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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