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Information card for entry 4002188
Preview
| Coordinates | 4002188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 Cr6 Mo12 N6 O66 P |
|---|---|
| Calculated formula | C48 Cr6 Mo12 N6 O66 P |
| SMILES | [Mo]1234(=O)O[Mo]567(=O)O[Mo]89(O[Mo]%10%11(O1)(=O)O[Mo]1%12(O2)(=O)O[Mo]2%13%14(O[Mo]%15(O3)(=O)(O5)O[Mo]35(O%13)(=O)O[Mo]%13(O6)(=O)(O8)O[Mo]68(O[Mo]%16(O%10)(O9)(=O)O[Mo](O1)(=O)(O2)(O6)[O]%12%14P([O]47%15)(=[O]%11%16)[O]5%138)(O3)=O)=O)=O.[Cr]1234([O]=CO[Cr]56([O]=CO1)([O]=CO[Cr]([O]=CO5)([O]=CO2)(OC=[O]3)([O]46)[n]1ccc(cc1)C)[n]1ccc(cc1)C)[n]1ccc(cc1)C.[Cr]1234([O]=CO[Cr]56([O]=CO1)([O]=CO[Cr]([O]=CO5)([O]=CO2)(OC=[O]3)([O]46)[n]1ccc(cc1)C)[n]1ccc(cc1)C)[n]1ccc(cc1)C |
| Title of publication | Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions |
| Authors of publication | Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 6 |
| Pages of publication | 2092 |
| a | 29.59 ± 0.06 Å |
| b | 25.19 ± 0.05 Å |
| c | 13.39 ± 0.02 Å |
| α | 90° |
| β | 91.23 ± 0.04° |
| γ | 90° |
| Cell volume | 9978 ± 3 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.166 |
| Weighted residual factors for all reflections included in the refinement | 0.4461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4002188.cif |
| 134762 | 2015-04-04 | cif/ Updating files of 4002187, 4002188, 4002189 Original log message: Adding full bibliography for 4002187--4002189.cif. |
4002188.cif |
| 133014 | 2015-03-05 | cif/ Adding structures of 4002188 via cif-deposit CGI script. |
4002188.cif |
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Users of the data should acknowledge the original authors of the
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