Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2236647
Preview
| Coordinates | 2236647.cif |
|---|---|
| Structure factors | 2236647.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')-bis[(3-pyridinecarboxaldehyde- κ<i>N</i>')]dicopper(II)(<i>Cu—Cu</i>) |
|---|---|
| Formula | C20 H22 Cu2 N2 O10 |
| Calculated formula | C20 H22 Cu2 N2 O10 |
| SMILES | c1c(ccc[n]1[Cu]1234[O]=C(C)O[Cu]4([O]=C(O1)C)([n]1cc(ccc1)C=O)(OC(C)=[O]2)[O]=C(O3)C)C=O |
| Title of publication | Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')-bis[(3-pyridinecarboxaldehyde-κ<i>N</i>')]dicopper(II)(<i>Cu{—</i>Cu}) |
| Authors of publication | Cruz-Enriquez, Adriana; Baez-Castro, Alberto; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, Jose J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | m1339 - m1340 |
| a | 7.4099 ± 0.0006 Å |
| b | 8.4298 ± 0.0007 Å |
| c | 10.0254 ± 0.0008 Å |
| α | 100.353 ± 0.001° |
| β | 108.975 ± 0.001° |
| γ | 98.679 ± 0.001° |
| Cell volume | 567.62 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0278 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181288 (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 2/23/66. |
2236647.cif 2236647.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. |
2236647.cif 2236647.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236647.cif 2236647.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. | 2236647.cif 2236647.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236647.cif 2236647.hkl |
| 70242 | 2012-12-21 | cif/ Adding structures of 2236647 via cif-deposit CGI script. |
2236647.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.