Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7035545
Preview
| Coordinates | 7035545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H71 Mg N3 Si4 |
|---|---|
| Calculated formula | C35 H71 Mg N3 Si4 |
| SMILES | C1(C2(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)CCCCC2)=[Mg](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Group 1 and 2 cyclic (alkyl)(amino)carbene complexes. |
| Authors of publication | Turner, Zoë R; Buffet, Jean-Charles |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 29 |
| Pages of publication | 12985 - 12989 |
| a | 10.491 ± 0.0001 Å |
| b | 20.8334 ± 0.0001 Å |
| c | 20.0585 ± 0.0002 Å |
| α | 90° |
| β | 103.328 ± 0.001° |
| γ | 90° |
| Cell volume | 4265.97 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7035545.html
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.