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Information card for entry 1568492
Preview
| Coordinates | 1568492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Caesium nickel trithiocyanate |
|---|---|
| Formula | C6 Cs2 N6 Ni2 S6 |
| Calculated formula | C6 Cs2 N6 Ni2 S6 |
| Title of publication | Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>. |
| Authors of publication | Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J. |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 13 |
| Pages of publication | 3531 - 3540 |
| a | 12.5261 ± 0.0005 Å |
| b | 13.0853 ± 0.001 Å |
| c | 5.5409 ± 0.0017 Å |
| α | 90° |
| β | 96.56 ± 0.006° |
| γ | 90° |
| Cell volume | 902.3 ± 0.3 Å3 |
| Cell temperature | 15 K |
| Ambient diffraction temperature | 15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1483 |
| Residual factor for significantly intense reflections | 0.1139 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1193 |
| Goodness-of-fit parameter for significantly intense reflections | 4.55 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.72 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.45678 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283170 (current) | 2023-05-05 | cif/ Updating files of 1568490, 1568491, 1568492, 1568493, 1568494, 1568495, 1568496, 1568497 Original log message: Adding full bibliography for 1568490--1568497.cif. |
1568492.cif |
| 281075 | 2023-02-22 | cif/ Adding structures of 1568490, 1568491, 1568492, 1568493, 1568494, 1568495, 1568496, 1568497 via cif-deposit CGI script. |
1568492.cif |
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Users of the data should acknowledge the original authors of the
structural data.