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Information card for entry 7231690
Preview
| Coordinates | 7231690.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H15 N3 S2 |
|---|---|
| Calculated formula | C12 H15 N3 S2 |
| Title of publication | Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand |
| Authors of publication | Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 63 |
| Pages of publication | 36223 |
| a | 11.438 ± 0.002 Å |
| b | 11.94 ± 0.002 Å |
| c | 9.874 ± 0.0019 Å |
| α | 90° |
| β | 107.37 ± 0.002° |
| γ | 90° |
| Cell volume | 1287 ± 0.4 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220.15 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0208 |
| Residual factor for significantly intense reflections | 0.0203 |
| Weighted residual factors for significantly intense reflections | 0.0505 |
| Weighted residual factors for all reflections included in the refinement | 0.0509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211659 (current) | 2018-10-26 | cif/ Adding structures of 7231690, 7231691, 7231692 via cif-deposit CGI script. |
7231690.cif |
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Users of the data should acknowledge the original authors of the
structural data.