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Information card for entry 1548083
Preview
| Coordinates | 1548083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Zn6B3O6(DPPA)9 |
|---|---|
| Formula | C124 H122 B3 O28 P9 Zn6 |
| Calculated formula | C124 H122 B3 O28 P9 Zn6 |
| Title of publication | Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles |
| Authors of publication | Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams |
| Journal of publication | Nature Communications |
| Year of publication | 2016 |
| Journal volume | 7 |
| Pages of publication | 13008 |
| a | 18.9696 ± 0.0003 Å |
| b | 19.3442 ± 0.0003 Å |
| c | 35.8523 ± 0.0007 Å |
| α | 100.397 ± 0.0016° |
| β | 98.3638 ± 0.0016° |
| γ | 98.829 ± 0.0015° |
| Cell volume | 12582.2 ± 0.4 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for all reflections | 0.1054 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9889 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1548083.cif |
| 203266 | 2017-11-17 | cif/ Adding structures of 1548083 via cif-deposit CGI script. |
1548083.cif |
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Users of the data should acknowledge the original authors of the
structural data.