Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2225644
Preview
| Coordinates | 2225644.cif |
|---|---|
| Structure factors | 2225644.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{<i>N</i>-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2- yl]ethanimidamidato}copper(II) |
|---|---|
| Formula | C22 H22 Cu N8 O4 |
| Calculated formula | C22 H22 Cu N8 O4 |
| SMILES | c12N=C(C)N[Cu]3([n]1nc(o2)c1ccc(cc1)OC)NC(=Nc1[n]3nc(o1)c1ccc(cc1)OC)C |
| Title of publication | Bis{<i>N</i>-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanimidamidato}copper(II) |
| Authors of publication | Djebli, Yacine; Mosbah, Salima; Boufas, Sihem; Bencharif, Leila; Roisnel, Thierry |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | m410 |
| a | 4.902 ± 0.0006 Å |
| b | 11.2083 ± 0.0014 Å |
| c | 11.5739 ± 0.0014 Å |
| α | 111.501 ± 0.005° |
| β | 99.274 ± 0.006° |
| γ | 91.564 ± 0.005° |
| Cell volume | 581.33 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181177 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/56. |
2225644.cif 2225644.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225644.cif 2225644.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225644.cif 2225644.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. | 2225644.cif 2225644.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225644.cif 2225644.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2225644.cif 2225644.hkl |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225644.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.