Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2235276
Preview
| Coordinates | 2235276.cif |
|---|---|
| Structure factors | 2235276.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibromido{<i>N</i>'-[1-(pyridin-2-yl)ethylidene]picolinohydrazide- κ^2^<i>N</i>',<i>O</i>}cadmium |
|---|---|
| Formula | C13 H12 Br2 Cd N4 O |
| Calculated formula | C13 H12 Br2 Cd N4 O |
| SMILES | [Cd]12(Br)(Br)[O]=C(N[N]2=C(c2[n]1cccc2)C)c1ncccc1 |
| Title of publication | Dibromido{<i>N</i>'-[1-(pyridin-2-yl)ethylidene]picolinohydrazide-κ^2^<i>N</i>',<i>O</i>}cadmium |
| Authors of publication | Akkurt, Mehmet; Khandar, Ali Akbar; Tahir, Muhammad Nawaz; Yazdi, Seyed Abolfazl Hosseini; Afkhami, Farhad Akbari |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m842 |
| a | 8.1336 ± 0.0003 Å |
| b | 13.6111 ± 0.0005 Å |
| c | 14.6102 ± 0.0005 Å |
| α | 90° |
| β | 90.55 ± 0.001° |
| γ | 90° |
| Cell volume | 1617.38 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0486 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0569 |
| Weighted residual factors for all reflections included in the refinement | 0.0623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181274 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/52. |
2235276.cif 2235276.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2235276.cif 2235276.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235276.cif 2235276.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2235276.cif 2235276.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235276.cif 2235276.hkl |
| 61960 | 2012-07-05 | cif/ Adding structures of 2235276 via cif-deposit CGI script. |
2235276.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.