Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7028553
Preview
| Coordinates | 7028553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 Br2 N2 Zn |
|---|---|
| Calculated formula | C12 H10 Br2 N2 Zn |
| SMILES | Br[Zn]1(Br)[n]2c(cccc2)C=[N]1c1ccccc1 |
| Title of publication | Synthesis and characterization of some water soluble Zn(II) complexes with (E)-N-(pyridin-2-ylmethylene)arylamines that regulate tumour cell death by interacting with DNA. |
| Authors of publication | Basu Baul, Tushar S.; Kundu, Sajal; Linden, Anthony; Raviprakash, Nune; Manna, Sunil K.; Guedes da Silva, M Fátima C |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 3 |
| Pages of publication | 1191 - 1202 |
| a | 7.8621 ± 0.0003 Å |
| b | 8.8368 ± 0.0003 Å |
| c | 10.0742 ± 0.0003 Å |
| α | 102.598 ± 0.003° |
| β | 100.816 ± 0.003° |
| γ | 96.996 ± 0.003° |
| Cell volume | 661.19 ± 0.04 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 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 | 0.0446 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179991 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/85. |
7028553.cif |
| 105362 | 2014-03-12 | cif/ Adding structures of 7028552, 7028553, 7028554, 7028555, 7028556, 7028557, 7028558 via cif-deposit CGI script. |
7028553.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.