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Information card for entry 2230221
Preview
| Coordinates | 2230221.cif |
|---|---|
| Structure factors | 2230221.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-amino-3,5-dichloropyridine- κ<i>N</i>^1^)copper(II)](<i>Cu</i>—<i>Cu</i>) |
|---|---|
| Formula | C18 H20 Cl4 Cu2 N4 O8 |
| Calculated formula | C18 H20 Cl4 Cu2 N4 O8 |
| SMILES | C1(C)=[O][Cu]234([n]5c(c(cc(c5)Cl)Cl)N)[O]=C(C)O[Cu]4([n]4c(c(cc(c4)Cl)Cl)N)([O]=C(O2)C)([O]=C(O3)C)O1 |
| Title of publication | Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-amino-3,5-dichloropyridine-κ<i>N</i>^1^)copper(II)](<i>Cu</i>—<i>Cu</i>) |
| Authors of publication | Chang, Hui-Chang; Cole, Jacqueline M.; Lin, Tze-Chia; Waddell, Paul G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m691 |
| a | 8.2857 ± 0.0017 Å |
| b | 17.01 ± 0.003 Å |
| c | 9.3159 ± 0.0019 Å |
| α | 90° |
| β | 103.07 ± 0.03° |
| γ | 90° |
| Cell volume | 1279 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0298 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| 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. |
2230221.cif 2230221.hkl |
| 181224 | 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 2/23/02. |
2230221.cif 2230221.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. |
2230221.cif 2230221.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230221.cif 2230221.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. | 2230221.cif 2230221.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230221.cif 2230221.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230221.cif 2230221.hkl |
| 22189 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230221 via cif-deposit CGI script. |
2230221.cif |
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Users of the data should acknowledge the original authors of the
structural data.