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Information card for entry 1551157
Preview
| Coordinates | 1551157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H75 B Mg N3 O2 |
|---|---|
| Calculated formula | C57 H75 B Mg N3 O2 |
| Title of publication | Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process |
| Authors of publication | Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 11.9947 ± 0.0003 Å |
| b | 21.8853 ± 0.0005 Å |
| c | 19.2733 ± 0.0003 Å |
| α | 90° |
| β | 98.837 ± 0.002° |
| γ | 90° |
| Cell volume | 4999.33 ± 0.19 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0783 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215509 (current) | 2019-05-25 | cif/ Adding structures of 1551151, 1551152, 1551153, 1551154, 1551155, 1551156, 1551157, 1551158 via cif-deposit CGI script. |
1551157.cif |
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Users of the data should acknowledge the original authors of the
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