Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7123766
Preview
| Coordinates | 7123766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H136 B2 Mg2 N4 O8 P2 |
|---|---|
| Calculated formula | C106 H136 B2 Mg2 N4 O8 P2 |
| Title of publication | Diborane Heterolysis and P(V) Reduction by Ph3P=O Coordination to Magnesium |
| Authors of publication | Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique; McMullin, Claire; Rajabi, Nasir A. |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 35.0559 ± 0.001 Å |
| b | 13.3465 ± 0.0002 Å |
| c | 22.2186 ± 0.0007 Å |
| α | 90° |
| β | 100.589 ± 0.003° |
| γ | 90° |
| Cell volume | 10218.5 ± 0.5 Å3 |
| Cell temperature | 149.9 ± 0.5 K |
| Ambient diffraction temperature | 149.9 ± 0.5 K |
| Number of distinct elements | 7 |
| 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 | 0.0897 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| 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 |
|---|---|---|---|
| 216748 (current) | 2019-07-05 | cif/ Adding structures of 7123765, 7123766 via cif-deposit CGI script. |
7123766.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.