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Information card for entry 2240868
Preview
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2240868.html
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