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Information card for entry 2311583
Preview
| Coordinates | 2311583.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | <i>trans</i>-Aqua[<i>N</i>,<i>N</i>'-bis(salicylidene)ethane-1,2-diamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']chloridomanganese(III) monohydrate |
|---|---|
| Chemical name | <i>trans</i>-Aquachlorido{2,2'[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate |
| Formula | C16 H18 Cl Mn N2 O4 |
| Calculated formula | C16 H18 Cl Mn N2 O4 |
| SMILES | [Mn]123(Cl)(Oc4ccccc4C=[N]2CC[N]3=Cc2ccccc2O1)[OH2].O |
| Title of publication | Packing polymorphism in the structure of <i>trans</i>-aqua-[<i>N</i>,<i>N</i>'-bis-(salicyl-idene)ethane-1,2-di-amine-κ<sup>4</sup><i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']chlorido-manganese(III) monohydrate. |
| Authors of publication | Reyes Perea, Juan Alberto; Bernès, Sylvain; Quintero Téllez, Ma Guadalupe |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | Pt 12 |
| Pages of publication | 1778 - 1782 |
| a | 6.7083 ± 0.0004 Å |
| b | 7.2414 ± 0.0005 Å |
| c | 17.2768 ± 0.0013 Å |
| α | 90° |
| β | 92.153 ± 0.006° |
| γ | 90° |
| Cell volume | 838.67 ± 0.1 Å3 |
| Cell temperature | 298 ± 1 K |
| Ambient diffraction temperature | 298 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0672 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246002 (current) | 2019-12-25 | cif/ Adding structures of 2311583 via cif-deposit CGI script. |
2311583.cif |
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