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Information card for entry 7240020
Preview
| Coordinates | 7240020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 N4 Ni S2 |
|---|---|
| Calculated formula | C16 H18 N4 Ni S2 |
| Title of publication | New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour |
| Authors of publication | Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 10.103 ± 0.0006 Å |
| b | 11.215 ± 0.0006 Å |
| c | 18.545 ± 0.0009 Å |
| α | 106.44 ± 0.004° |
| β | 94.39 ± 0.004° |
| γ | 111.05 ± 0.004° |
| Cell volume | 1843.2 ± 0.19 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248722 (current) | 2020-03-04 | cif/ Adding structures of 7240017, 7240018, 7240019, 7240020 via cif-deposit CGI script. |
7240020.cif |
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Users of the data should acknowledge the original authors of the
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