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Information card for entry 2233812
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| Coordinates | 2233812.cif |
|---|---|
| Structure factors | 2233812.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis(pyridin-4-ylmethyl 1<i>H</i>-pyrrole-2-carboxylate-κ<i>N</i>)zinc |
|---|---|
| Formula | C22 H20 Cl2 N4 O4 Zn |
| Calculated formula | C22 H20 Cl2 N4 O4 Zn |
| SMILES | c1c[n](ccc1COC(=O)c1[nH]ccc1)[Zn](Cl)([n]1ccc(cc1)COC(=O)c1[nH]ccc1)Cl |
| Title of publication | Dichloridobis(4-pyridylmethyl 1<i>H</i>-pyrrole-2-carboxylate-κ<i>N</i>)zinc |
| Authors of publication | Li, Can; Zhang, Guilong; Yin, Zhenming |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m323 |
| a | 27.604 ± 0.014 Å |
| b | 6.205 ± 0.003 Å |
| c | 16.087 ± 0.008 Å |
| α | 90° |
| β | 120.309 ± 0.006° |
| γ | 90° |
| Cell volume | 2379 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0287 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (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 2/23/38. |
2233812.cif 2233812.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. |
2233812.cif 2233812.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233812.cif 2233812.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. | 2233812.cif 2233812.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233812.cif 2233812.hkl |
| 51064 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233812 via cif-deposit CGI script. |
2233812.cif |
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Users of the data should acknowledge the original authors of the
structural data.