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Information card for entry 7708587
Preview
| Coordinates | 7708587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H104 B2 N2 O2 Sm2 |
|---|---|
| Calculated formula | C68 H104 B2 N2 O2 Sm2 |
| Title of publication | Cooperative Dinitrogen Capture by a Diboraanthracene/Samarocene Pair |
| Authors of publication | Xu, Song; Essex, Laura; Nguyen, Joseph; Farias, Phillip; Ziller, Joseph W.; Harman, Hill; Evans, William J. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 17.853 ± 0.002 Å |
| b | 21.946 ± 0.003 Å |
| c | 17.947 ± 0.002 Å |
| α | 90° |
| β | 112.106 ± 0.0015° |
| γ | 90° |
| Cell volume | 6514.8 ± 1.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0588 |
| Weighted residual factors for all reflections included in the refinement | 0.0645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270040 (current) | 2021-10-20 | cif/ Adding structures of 7708587 via cif-deposit CGI script. |
7708587.cif |
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Users of the data should acknowledge the original authors of the
structural data.