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Information card for entry 2231358
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| Coordinates | 2231358.cif |
|---|---|
| Structure factors | 2231358.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-aminopyrazine-κ<i>N</i>^4^)dichloridozinc |
|---|---|
| Formula | C8 H10 Cl2 N6 Zn |
| Calculated formula | C8 H10 Cl2 N6 Zn |
| SMILES | c1cnc(c[n]1[Zn]([n]1ccnc(c1)N)(Cl)Cl)N |
| Title of publication | Bis(2-aminopyrazine-κ<i>N</i>^4^)dichloridozinc |
| Authors of publication | Gao, Shan; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1049 - m1050 |
| a | 17.1445 ± 0.0012 Å |
| b | 6.166 ± 0.0004 Å |
| c | 12.0198 ± 0.0008 Å |
| α | 90° |
| β | 98.608 ± 0.002° |
| γ | 90° |
| Cell volume | 1256.34 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0257 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181235 (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 2/23/13. |
2231358.cif 2231358.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. |
2231358.cif 2231358.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231358.cif 2231358.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. | 2231358.cif 2231358.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231358.cif 2231358.hkl |
| 27275 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231358 via cif-deposit CGI script. |
2231358.cif |
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Users of the data should acknowledge the original authors of the
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