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Information card for entry 7047772
Preview
| Coordinates | 7047772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (2, 3-DAP)-tri-manganese-18-tungstoantimonate |
|---|---|
| Formula | C48 H67.2 K4 Mn3 N16 O80.1 Sb2 W19 |
| Calculated formula | C48 H67.2 K4 Mn3 N16 O80.1 Sb2 W19 |
| Title of publication | Synthesis of the first Zn<sub>6</sub>-hexagon sandwich-tungstoantimonate via rearrangement of a non-lacunary Krebs-type polyoxotungstate. |
| Authors of publication | Tanuhadi, Elias; Roller, Alexander; Giester, Gerald; Kampatsikas, Ioannis; Rompel, Annette |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 44 |
| Pages of publication | 15651 - 15655 |
| a | 12.116 ± 0.002 Å |
| b | 14.374 ± 0.003 Å |
| c | 21.414 ± 0.004 Å |
| α | 108.55 ± 0.03° |
| β | 91.9 ± 0.03° |
| γ | 99.07 ± 0.03° |
| Cell volume | 3477.6 ± 1.4 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1026 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.1451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7047772.cif |
| 229268 | 2019-11-17 | cif/ Updating files of 7047772, 7047773, 7047774, 7047775, 7047776 Original log message: Adding full bibliography for 7047772--7047776.cif. |
7047772.cif |
| 211441 | 2018-10-13 | cif/ Adding structures of 7047772, 7047773, 7047774, 7047775, 7047776 via cif-deposit CGI script. |
7047772.cif |
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Users of the data should acknowledge the original authors of the
structural data.