Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085252
Preview
| Coordinates | 4085252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H72 La N3 Si6 |
|---|---|
| Calculated formula | C27 H72 La N3 Si6 |
| SMILES | C(C)(C)(C)[Si](N([Si](C)(C)C)[La](N([Si](C(C)(C)C)(C)C)[Si](C)(C)C)N([Si](C(C)(C)C)(C)C)[Si](C)(C)C)(C)C |
| Title of publication | Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands |
| Authors of publication | Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2314 |
| a | 20.3541 ± 0.0007 Å |
| b | 20.3541 ± 0.0007 Å |
| c | 16.7604 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6013.4 ± 0.4 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0538 |
| Weighted residual factors for all reflections included in the refinement | 0.0568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4085252.cif |
| 203907 | 2017-12-03 | cif/ Updating space group information in entries 1544665, 1544717, 2001370, 2240504, 4032274, 4085252, 4085253, 4085517, 5900015, 7041312, 7042093, 7042096, 7044002, 7054849, 7112975. |
4085252.cif |
| 178741 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/52. |
4085252.cif |
| 140241 | 2015-07-05 | cif/ Updating files of 4085243, 4085244, 4085245, 4085246, 4085247, 4085248, 4085249, 4085250, 4085251, 4085252, 4085253, 4085254 Original log message: Adding full bibliography for 4085243--4085254.cif. |
4085252.cif |
| 129939 | 2015-01-17 | cif/ Adding structures of 4085243, 4085244, 4085245, 4085246, 4085247, 4085248, 4085249, 4085250, 4085251, 4085252, 4085253, 4085254 via cif-deposit CGI script. |
4085252.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.