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Information card for entry 2232154
Preview
| Coordinates | 2232154.cif |
|---|---|
| Structure factors | 2232154.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido{<i>N</i>-[1-(pyrazin-2-yl)ethylidene-κ<i>N</i>^1^]ethane-1,2- diamine-κ^2^<i>N</i>,<i>N</i>'}zinc |
|---|---|
| Formula | C8 H12 Cl2 N4 Zn |
| Calculated formula | C8 H12 Cl2 N4 Zn |
| SMILES | [Zn]12(Cl)(Cl)[n]3ccncc3C(C)=[N]1CC[NH2]2 |
| Title of publication | Dichlorido{<i>N</i>-[1-(pyrazin-2-yl)ethylidene-κ<i>N</i>^1^]ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}zinc |
| Authors of publication | Liu, Jia-Cheng; Li, Meng; Mohammed Omer, Abedelwahed Saeed; Wei, Yun; Guo, Guo-Zhe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1555 |
| a | 7.106 ± 0.005 Å |
| b | 8.976 ± 0.006 Å |
| c | 10.225 ± 0.006 Å |
| α | 69.566 ± 0.005° |
| β | 73.434 ± 0.005° |
| γ | 83.056 ± 0.005° |
| Cell volume | 585.6 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| 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. |
2232154.cif 2232154.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. |
2232154.cif 2232154.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232154.cif 2232154.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. | 2232154.cif 2232154.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232154.cif 2232154.hkl |
| 30796 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232154 via cif-deposit CGI script. |
2232154.cif |
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Users of the data should acknowledge the original authors of the
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