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Information card for entry 7705294
Preview
| Coordinates | 7705294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H58 N2 O46 S4 Si W12 |
|---|---|
| Calculated formula | C42 H58 N2 O46 S4 Si W12 |
| SMILES | [W]1234(=O)O[W]567(=O)O[W]89%10(=O)O[W]%11%12(=O)(O[W]%13%14(=O)(O[W]%15%16%17(=O)[O]%18%19[W]%20(=O)(O[W]%21(=O)(O5)(O3)[O]46[Si]%19([O]34[W]5(O[W]3(=O)(O[W]4(=O)(O%13)(O5)O%17)(O%20)O%21)(O7)(=O)O9)[O]%10%12%14)(O[W]%18(=O)(O%11)(O1)O%16)O%15)O8)O2.c1(ccc([S+](C)C)cc1)C=O.c1c([S+](C)C)ccc(c1)C=O.c1c([S+](C)C)ccc(c1)C=O.c1c(ccc([S+](C)C)c1)C=O.N(C)(C)C=O.N(C)(C=O)C |
| 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 | 13.3509 ± 0.0008 Å |
| b | 14.4698 ± 0.0007 Å |
| c | 19.8148 ± 0.0011 Å |
| α | 92.73 ± 0.004° |
| β | 101.278 ± 0.005° |
| γ | 104.065 ± 0.005° |
| Cell volume | 3623.2 ± 0.4 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 | 0.0846 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1408 |
| Weighted residual factors for all reflections included in the refinement | 0.1625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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. |
7705294.cif |
| 255722 | 2020-08-29 | cif/ Adding structures of 7705294, 7705295 via cif-deposit CGI script. |
7705294.cif |
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Users of the data should acknowledge the original authors of the
structural data.