Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7059665
Preview
| Coordinates | 7059665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H28 Cl N5 O2 S2 V |
|---|---|
| Calculated formula | C31 H28 Cl N5 O2 S2 V |
| SMILES | [V]123(=O)(SC(=N[N]1=Cc1ccc(cc1O2)N(CC)CC)SCc1ccc(cc1)Cl)[n]1cccc2ccc4ccc[n]3c4c12 |
| 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 | 9.2915 ± 0.0002 Å |
| b | 12.472 ± 0.0002 Å |
| c | 14.3887 ± 0.0003 Å |
| α | 66.4449 ± 0.0008° |
| β | 80.6708 ± 0.0012° |
| γ | 71.292 ± 0.0011° |
| Cell volume | 1446.62 ± 0.05 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0622 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257722 (current) | 2020-10-06 | cif/ Updating files of 7059663, 7059664, 7059665 Original log message: Adding full bibliography for 7059663--7059665.cif. |
7059665.cif |
| 255068 | 2020-08-06 | cif/ Updating files of 7059663, 7059664, 7059665 Original log message: Adding full bibliography for 7059663--7059665.cif. |
7059665.cif |
| 252538 | 2020-06-02 | cif/ Adding structures of 7059663, 7059664, 7059665 via cif-deposit CGI script. |
7059665.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.