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Information card for entry 2226808
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| Coordinates | 2226808.cif |
|---|---|
| Structure factors | 2226808.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>S</i>)-1,2,4-Trimethylpiperazine-1,4-diium tetrachloridozincate(II) |
|---|---|
| Formula | C7 H18 Cl4 N2 Zn |
| Calculated formula | C7 H18 Cl4 N2 Zn |
| SMILES | [Zn](Cl)(Cl)([Cl-])[Cl-].[C@@H]1(C[NH+](CC[NH+]1C)C)C |
| Title of publication | (<i>S</i>)-1,2,4-Trimethylpiperazine-1,4-diium tetrachloridozincate(II) |
| Authors of publication | Ru, Zong-ling |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | m1013 |
| a | 8.5197 ± 0.0017 Å |
| b | 9.7036 ± 0.0019 Å |
| c | 17.013 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1406.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.0669 |
| 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 |
|---|---|---|---|
| 181189 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/68. |
2226808.cif 2226808.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2226808.cif 2226808.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226808.cif 2226808.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. | 2226808.cif 2226808.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226808.cif 2226808.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2226808.cif 2226808.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2226808.cif |
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Users of the data should acknowledge the original authors of the
structural data.