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Information card for entry 7708555
Preview
| Coordinates | 7708555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 Ba5 Br10 F20 O27 |
|---|---|
| Calculated formula | C20 Ba5 Br10 F20 O27 |
| Title of publication | Expanding the synthetic toolbox to access pristine and rare-earth-doped BaFBr nanocrystals. |
| Authors of publication | Dhanapala, B. Dulani; Munasinghe, Hashini N.; Dissanayake, K. Tauni; Suescun, Leopoldo; Rabuffetti, Federico A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| a | 13.7278 ± 0.0005 Å |
| b | 19.6616 ± 0.0009 Å |
| c | 21.5689 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5821.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0786 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269956 (current) | 2021-10-15 | cif/ Adding structures of 7708555 via cif-deposit CGI script. |
7708555.cif |
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Users of the data should acknowledge the original authors of the
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