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Information card for entry 2241229
Preview
| Coordinates | 2241229.cif |
|---|---|
| Structure factors | 2241229.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | {2-[({2-[(2-Aminoethyl)amino]ethyl}imino)methyl]-6-hydroxyphenolato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^}(nitrato-κ<i>O</i>)]copper(II) ethanol 0.25-solvate |
|---|---|
| Formula | C11.5 H17.5 Cu N4 O5.25 |
| Calculated formula | C11.5 H17.5 Cu N4 O5.25 |
| Title of publication | Crystal structure of {2-[({2-[(2-aminoethyl)amino]ethyl}imino)methyl]-6-hydroxyphenolato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^}(nitrato-κ<i>O</i>)copper(II) ethanol 0.25-solvate |
| Authors of publication | Noor, Shabana; Kumar, Sarvendra; Sabir, Suhail; Seidel, Rüdiger W.; Goddard, Richard |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | m205 - m206 |
| a | 11.952 ± 0.002 Å |
| b | 12.129 ± 0.002 Å |
| c | 19.59 ± 0.004 Å |
| α | 90° |
| β | 98.921 ± 0.003° |
| γ | 90° |
| Cell volume | 2805.5 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0662 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241229.cif 2241229.hkl |
| 181913 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241229.cif 2241229.hkl |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
2241229.cif 2241229.hkl |
| 169824 | 2015-10-29 | cif/ hkl/ Adding structures of 2241229 via cif-deposit CGI script. |
2241229.cif 2241229.hkl |
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Users of the data should acknowledge the original authors of the
structural data.