Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2236026
Preview
| Coordinates | 2236026.cif |
|---|---|
| Structure factors | 2236026.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(acetato-κ<i>O</i>)bis(2-pyridinealdoxime- κ^2^<i>N</i>,<i>N</i>')cadmium(II) |
|---|---|
| Formula | C16 H18 Cd N4 O6 |
| Calculated formula | C16 H18 Cd N4 O6 |
| SMILES | c1cccc2C=[N](O)[Cd]3([n]12)([n]1ccccc1C=[N]3O)(OC(=O)C)OC(=O)C |
| Title of publication | Bis(acetato-κ<i>O</i>)bis(2-pyridinealdoxime-κ^2^<i>N</i>,<i>N</i>')cadmium |
| Authors of publication | Shirvan, Sadif A.; Haydari Dezfuli, Sara |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1080 - m1081 |
| a | 8.7875 ± 0.0006 Å |
| b | 9.0946 ± 0.0006 Å |
| c | 13.8873 ± 0.0011 Å |
| α | 100.837 ± 0.006° |
| β | 97.994 ± 0.006° |
| γ | 114.7 ± 0.005° |
| Cell volume | 960.42 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181282 (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 2/23/60. |
2236026.cif 2236026.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2236026.cif 2236026.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236026.cif 2236026.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. | 2236026.cif 2236026.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2236026.cif 2236026.hkl |
| 66114 | 2012-09-06 | cif/ Adding structures of 2236026 via cif-deposit CGI script. |
2236026.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.