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Information card for entry 1551352
Preview
| Coordinates | 1551352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H84 B4 N4 S4 |
|---|---|
| Calculated formula | C72 H84 B4 N4 S4 |
| Title of publication | Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds |
| Authors of publication | Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.4711 ± 0.0006 Å |
| b | 12.1436 ± 0.0007 Å |
| c | 14.1733 ± 0.0008 Å |
| α | 87.13 ± 0.001° |
| β | 83.446 ± 0.001° |
| γ | 65.946 ± 0.001° |
| Cell volume | 1634.96 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.683 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215852 (current) | 2019-06-12 | cif/ Adding structures of 1551349, 1551350, 1551351, 1551352, 1551353 via cif-deposit CGI script. |
1551352.cif |
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Users of the data should acknowledge the original authors of the
structural data.