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Information card for entry 4003000
Preview
| Coordinates | 4003000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 Ba5 Cl10 F20 O27 |
|---|---|
| Calculated formula | C20 Ba5 Cl10 F20 O27 |
| Title of publication | Accessing Mixed-Halide Upconverters Using Heterohaloacetate Precursors |
| Authors of publication | Dissanayake, K. Tauni; Amarasinghe, Dinesh K.; Suescun, Leopoldo; Rabuffetti, Federico A. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 16 |
| Pages of publication | 6262 |
| a | 13.739 ± 0.0013 Å |
| b | 19.3401 ± 0.0019 Å |
| c | 21.343 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5671.1 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0861 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220423 (current) | 2019-10-29 | cif/ Adding structures of 4003000 via cif-deposit CGI script. |
4003000.cif |
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Users of the data should acknowledge the original authors of the
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