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Information card for entry 4003890
Preview
| Coordinates | 4003890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cl6 Rb Sb |
|---|---|
| Calculated formula | Cl6 Rb Sb |
| Title of publication | Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7) |
| Authors of publication | Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 12.0736 ± 0.0004 Å |
| b | 6.3321 ± 0.0002 Å |
| c | 12.1366 ± 0.0003 Å |
| α | 90° |
| β | 101.905 ± 0.003° |
| γ | 90° |
| Cell volume | 907.9 ± 0.05 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0397 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263261 (current) | 2021-03-24 | cif/ Adding structures of 4003890 via cif-deposit CGI script. |
4003890.cif |
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Users of the data should acknowledge the original authors of the
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