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Information card for entry 2240868
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| Coordinates | 2240868.cif |
|---|---|
| Structure factors | 2240868.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(<i>L</i>-methionine-κ<i>O</i>)zinc]-μ~3~-(hydrogen phosphato)-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''] |
|---|---|
| Formula | C5 H12 N O6 P S Zn |
| Calculated formula | C5 H12 N O6 P S Zn |
| SMILES | [Zn]1(OP(=O)(O)O[Zn]2OC(=O)[C@@H]([NH3+])CCSC)(OC(=O)[C@@H]([NH3+])CCSC)OP(=[O]2)(O)O[Zn]2(OC(=O)[C@@H]([NH3+])CCSC)OP(O)(=[O][Zn](OC(=O)[C@@H]([NH3+])CCSC)OP(O)(=O)O2)O1 |
| Title of publication | Crystal structure of a new homochiral one-dimensional zincophosphate containing <small>L</small>-methionine |
| Authors of publication | Chouat, Nadjet; Hasnaoui, Mohammed Abdelkrim; Sassi, Mohamed; Bengueddach, Abdelkader; Lusvardi, Gigliola; Cornia, Andrea |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | 832 - 835 |
| a | 5.221 ± 0.0002 Å |
| b | 9.1889 ± 0.0004 Å |
| c | 22.1559 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1062.93 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0345 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0564 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240868.cif 2240868.hkl |
| 139612 | 2015-06-25 | cif/ hkl/ Adding structures of 2240868 via cif-deposit CGI script. |
2240868.cif 2240868.hkl |
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Users of the data should acknowledge the original authors of the
structural data.