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Information card for entry 4134326
Preview
| Coordinates | 4134326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H86 B Be F24.01 N3 Na2 O5 |
|---|---|
| Calculated formula | C67 H86 B Be F24.015 N3 Na2 O5 |
| Title of publication | A Stable, Crystalline Beryllium Radical Cation. |
| Authors of publication | Wang, Guocang; Walley, Jacob E.; Dickie, Diane A.; Pan, Sudip; Frenking, Gernot; Gilliard, Jr, Robert J |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 17.902 ± 0.002 Å |
| b | 21.874 ± 0.003 Å |
| c | 20.278 ± 0.003 Å |
| α | 90° |
| β | 111.118 ± 0.004° |
| γ | 90° |
| Cell volume | 7407.3 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1397 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1232 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248669 (current) | 2020-03-04 | cif/ Adding structures of 4134324, 4134325, 4134326, 4134327 via cif-deposit CGI script. |
4134326.cif |
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