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Information card for entry 2233504
Preview
| Coordinates | 2233504.cif |
|---|---|
| Structure factors | 2233504.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | {(<i>E</i>)-4-Hydroxy-<i>N</i>'-[phenyl(pyridin-2-yl- κ<i>N</i>)methylidene]benzohydrazide-κ^2^<i>N</i>',<i>O</i>}bis(nitrato- κ^2^<i>O</i>,<i>O</i>')copper(II) |
|---|---|
| Formula | C19 H15 Cu N5 O8 |
| Calculated formula | C19 H15 Cu N5 O8 |
| SMILES | [Cu]12([O]=C(N[N]2=C(c2[n]1cccc2)c1ccccc1)c1ccc(O)cc1)(ON(=O)=O)ON(=O)=O |
| Title of publication | {(<i>E</i>)-4-Hydroxy-<i>N</i>'-[phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]benzohydrazide-κ^2^<i>N</i>',<i>O</i>}bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II) |
| Authors of publication | Bikas, Rahman; Sattari, Farhad; Notash, Behrouz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m132 - m133 |
| a | 9.881 ± 0.002 Å |
| b | 10.373 ± 0.002 Å |
| c | 11.964 ± 0.002 Å |
| α | 102.51 ± 0.03° |
| β | 105.07 ± 0.03° |
| γ | 111.16 ± 0.03° |
| Cell volume | 1036.5 ± 0.6 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 | 0.0763 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1524 |
| Weighted residual factors for all reflections included in the refinement | 0.1974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233504.cif 2233504.hkl |
| 181257 | 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 2/23/35. |
2233504.cif 2233504.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. |
2233504.cif 2233504.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233504.cif 2233504.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. | 2233504.cif 2233504.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233504.cif 2233504.hkl |
| 38300 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233504 via cif-deposit CGI script. |
2233504.cif |
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Users of the data should acknowledge the original authors of the
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