Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239825
Preview
| Coordinates | 2239825.cif |
|---|---|
| Structure factors | 2239825.hkl |
| Original IUCr paper | HTML |
| Common name | MC493_LT |
|---|---|
| Chemical name | Poly[[<i>trans</i>-diaquabis[μ~2~-<i>trans</i>-4,4'-(diazenediyl)dipyridine]nickel(II)] diiodide ethanol disolvate] |
| Formula | C24 H32 I2 N8 Ni O4 |
| Calculated formula | C24 H32 I2 N8 Ni O4 |
| Title of publication | Crystal structure of poly[[<i>trans</i>-diaquabis[μ~2~-<i>trans</i>-4,4'-(diazenediyl)dipyridine]nickel(II)] diiodide ethanol disolvate] |
| Authors of publication | Perles, Josefina; Cortijo, Miguel; Herrero, Santiago |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | m314 - m315 |
| a | 8.6367 ± 0.0011 Å |
| b | 13.2598 ± 0.0016 Å |
| c | 13.4188 ± 0.0014 Å |
| α | 90° |
| β | 101.737 ± 0.003° |
| γ | 90° |
| Cell volume | 1504.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0736 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181898 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239825.cif 2239825.hkl |
| 181317 | 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 2/23/98. |
2239825.cif 2239825.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. |
2239825.cif 2239825.hkl |
| 121412 | 2014-08-06 | cif/ hkl/ Adding structures of 2239825 via cif-deposit CGI script. |
2239825.cif 2239825.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.