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Information card for entry 7705295
Preview
| Coordinates | 7705295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H58 Mo12 N2 O46 S4 Si |
|---|---|
| Calculated formula | C42 H58 Mo12 N2 O46 S4 Si |
| SMILES | [Mo]1234(O[Mo]567(O[Mo]89%10(=O)O[Mo]%11%12%13(O[Mo]%14%15%16(=O)[O]%17%18[Mo](O8)(O6)(O%14)(=O)O[Mo]6%17(O[Mo]8([O]15[Si]1%18[O]5%14[Mo]%17(O[Mo]%14(=O)(O3)(O[Mo](=O)([O]9%111)(O%10)(O%13)O4)O[Mo]5(=O)(O%15)(O%12)O%17)(O6)(=O)O8)(=O)(O2)O7)(=O)O%16)=O)=O)=O.[S+](c1ccc(cc1)C=O)(C)C.N(C)(C=O)C.[S+](C)(c1ccc(cc1)C=O)C.[S+](c1ccc(cc1)C=O)(C)C.c1cc(ccc1C=O)[S+](C)C.CN(C)C=O |
| Title of publication | Post-functionalization through covalent modification of organic counter ions: a stepwise and controlled approach for novel hybrid polyoxometalate materials. |
| Authors of publication | Kar, Aranya; Pradeep, Chullikkattil P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 35 |
| Pages of publication | 12174 - 12179 |
| a | 13.3411 ± 0.0013 Å |
| b | 14.4694 ± 0.0009 Å |
| c | 19.6679 ± 0.0017 Å |
| α | 93.167 ± 0.006° |
| β | 100.73 ± 0.008° |
| γ | 104.086 ± 0.007° |
| Cell volume | 3597.9 ± 0.5 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1049 |
| Residual factor for significantly intense reflections | 0.0812 |
| Weighted residual factors for significantly intense reflections | 0.203 |
| Weighted residual factors for all reflections included in the refinement | 0.2349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| 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 |
|---|---|---|---|
| 257570 (current) | 2020-10-06 | cif/ Updating files of 7705294, 7705295 Original log message: Adding full bibliography for 7705294--7705295.cif. |
7705295.cif |
| 255722 | 2020-08-29 | cif/ Adding structures of 7705294, 7705295 via cif-deposit CGI script. |
7705295.cif |
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Users of the data should acknowledge the original authors of the
structural data.