Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239498
Preview
| Coordinates | 2239498.cif |
|---|---|
| Structure factors | 2239498.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) nitrate trihydrate |
|---|---|
| Formula | C20 H22 Cl N5 Ni O6 |
| Calculated formula | C20 H22 Cl N5 Ni O6 |
| SMILES | [Ni]12(Cl)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.O=N(=O)[O-].O.O.O |
| Title of publication | Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) nitrate trihydrate |
| Authors of publication | Boutebdja, Mehdi; Beghidja, Adel; Beghidja, Chahrazed; Setifi, Zouaoui; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | m190 - m191 |
| a | 8.2341 ± 0.0002 Å |
| b | 21.192 ± 0.0005 Å |
| c | 13.1284 ± 0.0004 Å |
| α | 90° |
| β | 99.722 ± 0.001° |
| γ | 90° |
| Cell volume | 2257.97 ± 0.1 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.0662 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239498.cif 2239498.hkl |
| 181313 | 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 2/23/94. |
2239498.cif 2239498.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. |
2239498.cif 2239498.hkl |
| 111755 | 2014-04-27 | cif/ hkl/ Adding structures of 2239498 via cif-deposit CGI script. |
2239498.cif 2239498.hkl |
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.