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Information card for entry 2234263
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| Coordinates | 2234263.cif |
|---|---|
| Structure factors | 2234263.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(ethanol-κ<i>O</i>)[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>- benzimidazole-κ<i>N</i>^3^]copper(II) |
|---|---|
| Formula | C12 H13 Cl2 Cu N3 O S |
| Calculated formula | C12 H13 Cl2 Cu N3 O S |
| SMILES | [Cu]1(Cl)(Cl)([OH]CC)[n]2c(c3[n]1c1ccccc1[nH]3)csc2 |
| Title of publication | Dichlorido(ethanol-κ<i>O</i>)[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]copper(II) |
| Authors of publication | Li, Long; Diao, Kai-Sheng; Ding, Yu-Qiu; Tang, Jin-Niu; Wang, Dai-Yin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m508 |
| a | 13.928 ± 0.005 Å |
| b | 7.473 ± 0.003 Å |
| c | 16.653 ± 0.004 Å |
| α | 90° |
| β | 122.43 ± 0.02° |
| γ | 90° |
| Cell volume | 1463 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.045 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181264 (current) | 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 2/23/42. |
2234263.cif 2234263.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. |
2234263.cif 2234263.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234263.cif 2234263.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. | 2234263.cif 2234263.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234263.cif 2234263.hkl |
| 55530 | 2012-05-05 | cif/ Adding structures of 2234263 via cif-deposit CGI script. |
2234263.cif |
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Users of the data should acknowledge the original authors of the
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