Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1552513
Preview
| Coordinates | 1552513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H48 Mn N P4 Si |
|---|---|
| Calculated formula | C27 H48 Mn N P4 Si |
| SMILES | C(#[N]c1c(cccc1C)C)[Mn]12([P](C)(C)CC[P]1(C)C)([P](C)(C)CC[P]2(C)C)[SiH2]c1ccccc1 |
| Title of publication | Interconversion and reactivity of manganese silyl, silylene, and silene complexes |
| Authors of publication | Price, Jeffrey S.; Emslie, David J. H. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 11.0996 ± 0.0002 Å |
| b | 18.7393 ± 0.0004 Å |
| c | 15.7941 ± 0.0004 Å |
| α | 90° |
| β | 106.78 ± 0.001° |
| γ | 90° |
| Cell volume | 3145.27 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0473 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220520 (current) | 2019-10-30 | cif/ Adding structures of 1552513, 1552514, 1552515, 1552516, 1552517, 1552518, 1552519, 1552520 via cif-deposit CGI script. |
1552513.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.