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Information card for entry 7700913
Preview
| Coordinates | 7700913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(bis(tri(1H-pyrazol-1-yl)hydroborate)u-2,5difluoro-3,6-dihydroxy-1,4-benzoquinone diyttrium |
|---|---|
| Formula | C42 H42 B4 F2 N24 O5 Y2 |
| Calculated formula | C42 H40 B4 F2 N24 O4 Y2 |
| Title of publication | Tetraoxolene-bridged rare-earth complexes: a radical-bridged dinuclear Dy single-molecule magnet. |
| Authors of publication | Reed, William R.; Dunstan, Maja A.; Gable, Robert W.; Phonsri, Wasinee; Murray, Keith S.; Mole, Richard A.; Boskovic, Colette |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 41 |
| Pages of publication | 15635 - 15645 |
| a | 11.78 ± 0.002 Å |
| b | 18.47 ± 0.004 Å |
| c | 12.24 ± 0.002 Å |
| α | 90° |
| β | 104.13 ± 0.03° |
| γ | 90° |
| Cell volume | 2582.6 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0654 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7109 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223903 (current) | 2019-11-07 | cif/ Updating files of 7700911, 7700912, 7700913, 7700914 Original log message: Adding full bibliography for 7700911--7700914.cif. |
7700913.cif |
| 217689 | 2019-08-24 | cif/ Adding structures of 7700911, 7700912, 7700913, 7700914 via cif-deposit CGI script. |
7700913.cif |
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Users of the data should acknowledge the original authors of the
structural data.