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Information card for entry 8105326
Preview
| Coordinates | 8105326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H24 N6 O5 S V |
|---|---|
| Calculated formula | C15 H24 N6 O5 S V |
| SMILES | c1[n](ccn1CC)[V]1([n]2cn(cc2)CC)([n]2cn(cc2)CC)(=O)OS(=O)(=O)O1 |
| Title of publication | The crystal structure of tris(1-ethylimidazole-κ1 N)-(sulfato-κ2 O,O′)vanadium(IV), C15H24N6O5SV |
| Authors of publication | Fu, Yi-Ru; Luan, Jian; Wang, Xiao-Jie |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 4 |
| Pages of publication | 905 - 906 |
| a | 16.0059 ± 0.0009 Å |
| b | 9.1008 ± 0.0006 Å |
| c | 14.2686 ± 0.0007 Å |
| α | 90° |
| β | 100.352 ± 0.002° |
| γ | 90° |
| Cell volume | 2044.6 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0709 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275757 (current) | 2022-06-03 | cif/ Adding structures of 8105326 via cif-deposit CGI script. |
8105326.cif |
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Users of the data should acknowledge the original authors of the
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