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Information card for entry 2232874
Preview
| Coordinates | 2232874.cif |
|---|---|
| Structure factors | 2232874.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1- yl)acetato-κ<i>O</i>]copper(II) |
|---|---|
| Formula | C32 H30 Cu N4 O4 |
| Calculated formula | C32 H30 Cu N4 O4 |
| SMILES | C(=O)(Cc1cccc2c1cccc2)O[Cu]([n]1cc[nH]c1C)([n]1cc[nH]c1C)OC(=O)Cc1cccc2c1cccc2 |
| Title of publication | Bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis[2-(naphthalen-2-yl)acetato-κ<i>O</i>]copper(II) |
| Authors of publication | Yin, Fu-Jun; Han, Li-Jun; Yang, Shu-Ping; Xu, Xing You |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1772 |
| a | 28.43 ± 0.004 Å |
| b | 7.5544 ± 0.001 Å |
| c | 13.9417 ± 0.0019 Å |
| α | 90° |
| β | 108.216 ± 0.002° |
| γ | 90° |
| Cell volume | 2844.2 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0435 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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. |
2232874.cif 2232874.hkl |
| 181250 | 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 2/23/28. |
2232874.cif 2232874.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. |
2232874.cif 2232874.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232874.cif 2232874.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. | 2232874.cif 2232874.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232874.cif 2232874.hkl |
| 31756 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232874 via cif-deposit CGI script. |
2232874.cif |
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Users of the data should acknowledge the original authors of the
structural data.