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Information card for entry 7240018
Preview
| Coordinates | 7240018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H20 Cl2 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 | 16.8134 ± 0.0006 Å |
| b | 14.9609 ± 0.0003 Å |
| c | 9.801 Å |
| α | 90° |
| β | 114.894 ± 0.002° |
| γ | 90° |
| Cell volume | 2236.32 ± 0.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0296 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| 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 | Yes |
| 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. |
7240018.cif |
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