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Information card for entry 2244195
Preview
| Coordinates | 2244195.cif |
|---|---|
| Structure factors | 2244195.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[bis(3-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-1,3-thiocyanato] acetonitrile monosolvate] |
|---|---|
| Formula | C16 H17 N5 Ni S2 |
| Calculated formula | C16 H17 N5 Ni S2 |
| Title of publication | Synthesis, crystal structure and properties of <i>catena</i>-poly[[[bis(3-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-1,3-thiocyanato] acetonitrile monosolvate] |
| Authors of publication | Näther, Christian; Jess, Inke; Krebs, Christoph |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 11 |
| a | 18.2934 ± 0.0009 Å |
| b | 11.7472 ± 0.0004 Å |
| c | 9.7341 ± 0.0005 Å |
| α | 90° |
| β | 117.043 ± 0.006° |
| γ | 90° |
| Cell volume | 1863.11 ± 0.18 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 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 | 0.0242 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0657 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278482 (current) | 2022-10-07 | cif/ hkl/ Adding structures of 2244195 via cif-deposit CGI script. |
2244195.cif 2244195.hkl |
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Users of the data should acknowledge the original authors of the
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