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Information card for entry 2228835
Preview
| Coordinates | 2228835.cif |
|---|---|
| Structure factors | 2228835.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{(<i>E</i>)-2-[(2-chloro-3-pyridyl)iminomethyl]-6-methoxyphenolato- κ^2^<i>N</i>,<i>O</i>^1^}copper(II) |
|---|---|
| Formula | C26 H20 Cl2 Cu N4 O4 |
| Calculated formula | C26 H20 Cl2 Cu N4 O4 |
| SMILES | C1=[N](c2c(nccc2)Cl)[Cu]2(Oc3c1cccc3OC)[N](=Cc1c(c(ccc1)OC)O2)c1c(nccc1)Cl |
| Title of publication | Bis{(<i>E</i>)-2-[(2-chloro-3-pyridyl)iminomethyl]-6-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^}copper(II) |
| Authors of publication | Dong, Wen-Kui; Wang, Yuan; Wu, Jian-Chao; Zhang, Shou-Ting |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m91 |
| a | 21.242 ± 0.002 Å |
| b | 7.5743 ± 0.0009 Å |
| c | 16.141 ± 0.002 Å |
| α | 90° |
| β | 97.652 ± 0.001° |
| γ | 90° |
| Cell volume | 2573.9 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2228835.cif 2228835.hkl |
| 181209 | 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 2/22/88. |
2228835.cif 2228835.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. |
2228835.cif 2228835.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228835.cif 2228835.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. | 2228835.cif 2228835.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228835.cif 2228835.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228835.cif 2228835.hkl |
| 10038 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228835 via cif-deposit CGI script. |
2228835.cif |
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Users of the data should acknowledge the original authors of the
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