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Information card for entry 2234845
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| Coordinates | 2234845.cif |
|---|---|
| Structure factors | 2234845.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis(pyrazine-2-carboxamide-κ<i>N</i>^4^)zinc(II) |
|---|---|
| Formula | C10 H10 Cl2 N6 O2 Zn |
| Calculated formula | C10 H10 Cl2 N6 O2 Zn |
| SMILES | c1c(C(=O)N)ncc[n]1[Zn]([n]1cc(C(=O)N)ncc1)(Cl)Cl |
| Title of publication | Dichloridobis(pyrazine-2-carboxamide-κ<i>N</i>^4^)zinc(II) |
| Authors of publication | Shirvan, Sadif A.; Haydari Dezfuli, Sara |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m546 |
| a | 5.4296 ± 0.0005 Å |
| b | 19.7629 ± 0.0014 Å |
| c | 6.8396 ± 0.0005 Å |
| α | 90° |
| β | 105.131 ± 0.007° |
| γ | 90° |
| Cell volume | 708.48 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0708 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181270 (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 2/23/48. |
2234845.cif 2234845.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2234845.cif 2234845.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234845.cif 2234845.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. | 2234845.cif 2234845.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234845.cif 2234845.hkl |
| 60351 | 2012-06-14 | cif/ Adding structures of 2234845 via cif-deposit CGI script. |
2234845.cif |
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Users of the data should acknowledge the original authors of the
structural data.