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Information card for entry 2232113
Preview
| Coordinates | 2232113.cif |
|---|---|
| Structure factors | 2232113.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis[4-(1<i>H</i>-pyrazol-3-yl)pyridine-κ<i>N</i>^1^]zinc |
|---|---|
| Formula | C16 H14 Cl2 N6 Zn |
| Calculated formula | C16 H14 Cl2 N6 Zn |
| SMILES | [Zn](Cl)(Cl)([n]1ccc(c2n[nH]cc2)cc1)[n]1ccc(c2n[nH]cc2)cc1 |
| Title of publication | Dichloridobis[4-(1<i>H</i>-pyrazol-3-yl)pyridine-κ<i>N</i>^1^]zinc |
| Authors of publication | Tan, Zheng-De; Tan, Feng-Jiao; Tan, Bo; Zhang, Cheng-Ming |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1408 |
| a | 12.306 ± 0.003 Å |
| b | 7.8827 ± 0.0016 Å |
| c | 18.883 ± 0.004 Å |
| α | 90° |
| β | 94.82 ± 0.03° |
| γ | 90° |
| Cell volume | 1825.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.144 |
| Residual factor for significantly intense reflections | 0.08 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181243 (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 2/23/21. |
2232113.cif 2232113.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. |
2232113.cif 2232113.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232113.cif 2232113.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. | 2232113.cif 2232113.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232113.cif 2232113.hkl |
| 29407 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232113 via cif-deposit CGI script. |
2232113.cif |
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Users of the data should acknowledge the original authors of the
structural data.