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Information card for entry 2240447
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| Coordinates | 2240447.cif |
|---|---|
| Structure factors | 2240447.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2'-Bipyridine-1,1'-diium tetrachloridozincate |
|---|---|
| Formula | C10 H10 Cl4 N2 Zn |
| Calculated formula | C10 H10 Cl4 N2 Zn |
| SMILES | c1cccc(c2cccc[nH+]2)[nH+]1.[Zn](Cl)(Cl)([Cl-])[Cl-] |
| Title of publication | Crystal structure of 2,2'-bipyridine-1,1'-diium tetrachloridozincate |
| Authors of publication | Govindaraj, Jeyaraman; Thirumurugan, Subramani; Clara, Antoni Samy; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalathevar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | m67 - m68 |
| a | 7.1059 ± 0.0004 Å |
| b | 13.6075 ± 0.0006 Å |
| c | 14.2631 ± 0.0007 Å |
| α | 90° |
| β | 100.816 ± 0.005° |
| γ | 90° |
| Cell volume | 1354.65 ± 0.12 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0311 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0536 |
| Weighted residual factors for all reflections included in the refinement | 0.0559 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240447.cif 2240447.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240447.cif 2240447.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2240447.cif 2240447.hkl |
| 132177 | 2015-02-21 | cif/ hkl/ Adding structures of 2240447 via cif-deposit CGI script. |
2240447.cif 2240447.hkl |
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