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Information card for entry 1552144
Preview
| Coordinates | 1552144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (n-Bu3NH)2[V(4-Br-C6H3O2)3] |
|---|---|
| Chemical name | tris(4-bromocatecholato)vanadate(IV) bis-tri-n-butylammonium |
| Formula | C42 H64 Br3 N2 O6 V |
| Calculated formula | C42 H65 Br3 N2 O6 V |
| Title of publication | Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes |
| Authors of publication | Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 14.609 ± 0.0013 Å |
| b | 14.609 ± 0.0013 Å |
| c | 21.144 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4512.6 ± 0.7 Å3 |
| Cell temperature | 116 ± 2 K |
| Ambient diffraction temperature | 116.62 K |
| Number of distinct elements | 6 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217404 (current) | 2019-08-06 | cif/ Adding structures of 1552144, 1552145, 1552146 via cif-deposit CGI script. |
1552144.cif |
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Users of the data should acknowledge the original authors of the
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