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Information card for entry 2232535
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| Coordinates | 2232535.cif |
|---|---|
| Structure factors | 2232535.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Methylpiperazine-1,4-diium tetrachloridozincate hemihydrate |
|---|---|
| Formula | C5 H15 Cl4 N2 O0.5 Zn |
| Calculated formula | C5 H15 Cl4 N2 O0.5 Zn |
| SMILES | [Zn](Cl)(Cl)([Cl-])[Cl-].[NH2+]1CC[NH+](CC1)C.O |
| Title of publication | 1-Methylpiperazine-1,4-diium tetrachloridozincate hemihydrate |
| Authors of publication | Walha, Sondra; Naïli, Houcine; Yahyaoui, Samia; Mhiri, Tahar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1605 |
| a | 14.321 ± 0.0005 Å |
| b | 12.759 ± 0.0005 Å |
| c | 13.797 ± 0.0003 Å |
| α | 90° |
| β | 102.821 ± 0.003° |
| γ | 90° |
| Cell volume | 2458.16 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0844 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.237 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (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 2/23/25. |
2232535.cif 2232535.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. |
2232535.cif 2232535.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232535.cif 2232535.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. | 2232535.cif 2232535.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232535.cif 2232535.hkl |
| 31209 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232535 via cif-deposit CGI script. |
2232535.cif |
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Users of the data should acknowledge the original authors of the
structural data.