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Information card for entry 4345619
Preview
| Coordinates | 4345619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H108 N3 O40 P W12 |
|---|---|
| Calculated formula | C48 H108 N3 O40 P W12 |
| Title of publication | Voltammetric and Spectroscopic Studies of α- and β-[PW12O40](3-) Polyoxometalates in Neutral and Acidic Media: Structural Characterization as Their [(n-Bu4N)3][PW12O40] Salts. |
| Authors of publication | Ueda, Tadaharu; Kodani, Keisuke; Ota, Hiromi; Shiro, Motoo; Guo, Si-Xuan; Boas, John F.; Bond, Alan M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 3990 - 4001 |
| a | 13.7108 ± 0.0019 Å |
| b | 15.384 ± 0.002 Å |
| c | 19.356 ± 0.003 Å |
| α | 95.385 ± 0.003° |
| β | 93.074 ± 0.003° |
| γ | 90.727 ± 0.003° |
| Cell volume | 4058.2 ± 1 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.094 |
| Residual factor for significantly intense reflections | 0.0791 |
| Weighted residual factors for significantly intense reflections | 0.197 |
| Weighted residual factors for all reflections included in the refinement | 0.2078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4345619.cif |
| 194728 | 2017-04-04 | cif/ Adding structures of 4345619 via cif-deposit CGI script. |
4345619.cif |
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Users of the data should acknowledge the original authors of the
structural data.