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Information card for entry 1566987
Preview
| Coordinates | 1566987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H48 As8 N12 Ni2 O26 V6 |
|---|---|
| Calculated formula | C12 H48 As8 N12 Ni2 O26 V6 |
| Title of publication | Composition-driven archetype dynamics in polyoxovanadates |
| Authors of publication | Kondinski, Aleksandar; Rasmussen, Maren; Mangelsen, Sebastian; Pienack, Nicole; Simjanoski, Viktor; Näther, Christian; Stares, Daniel L.; Schalley, Christoph A.; Bensch, Wolfgang |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 20.3058 ± 0.0005 Å |
| b | 20.3058 ± 0.0005 Å |
| c | 24.3847 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10054.4 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 142 |
| Hermann-Mauguin space group symbol | I 41/a c d :2 |
| Hall space group symbol | -I 4bd 2c |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275461 (current) | 2022-05-17 | cif/ Adding structures of 1566987 via cif-deposit CGI script. |
1566987.cif |
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Users of the data should acknowledge the original authors of the
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