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Information card for entry 7112895
Preview
| Coordinates | 7112895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H72 Mo12 N5 Na7 O98 P8 |
|---|---|
| Calculated formula | C32 H72 Mo12 N5 Na7 O98 P8 |
| SMILES | [Mo]123(O[Mo]45([O]1P16=[O][Mo](O5)(=O)(=O)(OP([O]24)(=O)C6(O3)CCC[NH3+])[O]=P23[O]4[Mo]56(O[Mo]74([O]5P(O[Mo](O7)(=O)(=O)(O2)[O]=P24[O]5[Mo]78(O[Mo]95([O]7P(O[Mo]([O]=P57[O]%10[Mo]%11%12(O[Mo]%13%10([O]%11P(O[Mo](O1)(O%13)(=O)(=O)O5)(=O)C7(O%12)CCC[NH3+])(=O)=O)(=O)=O)(O9)(=O)(=O)O2)(=O)C4(O8)CCC[NH3+])(=O)=O)(=O)=O)(=O)C3(O6)CCC[NH3+])(=O)=O)(=O)=O)(=O)=O)(=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Functionalized polyoxometalates with intrinsic photochromic properties and their association with spiropyran cations. |
| Authors of publication | Compain, Jean-Daniel; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne; Oms, Olivier; Sécheresse, Francis; Marrot, Jérôme; Mialane, Pierre |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 41 |
| Pages of publication | 7733 - 7735 |
| a | 19.6365 ± 0.0015 Å |
| b | 19.6365 ± 0.0015 Å |
| c | 15.5296 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5988.1 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0332 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.203 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180242 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28. |
7112895.cif |
| 112145 | 2014-04-30 | cif/ Adding structures of 7112894, 7112895 via cif-deposit CGI script. |
7112895.cif |
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Users of the data should acknowledge the original authors of the
structural data.