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Information card for entry 2108871
Preview
| Coordinates | 2108871.cif |
|---|---|
| Structure factors | 2108871.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tris(<i>N</i>,<i>N</i>-dimethylethane-1,2-diammonium) bis[hexachloridobismuthate(III)] |
|---|---|
| Formula | C12 H42 Bi2 Cl12 N6 |
| Calculated formula | C12 H42 Bi2 Cl12 N6 |
| Title of publication | Understanding distortions of inorganic substructures in chloridobismuthates(III) |
| Authors of publication | Bujak, Maciej |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 5 |
| a | 27.8842 ± 0.0004 Å |
| b | 10.19431 ± 0.00013 Å |
| c | 12.45639 ± 0.00017 Å |
| α | 90° |
| β | 102.911 ± 0.0014° |
| γ | 90° |
| Cell volume | 3451.34 ± 0.08 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0179 |
| Residual factor for significantly intense reflections | 0.0156 |
| Weighted residual factors for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.0368 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269239 (current) | 2021-09-22 | cif/ hkl/ Adding structures of 2108871, 2108872, 2108873, 2108874, 2108875 via cif-deposit CGI script. |
2108871.cif 2108871.hkl |
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Users of the data should acknowledge the original authors of the
structural data.