Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072489
Preview
| Coordinates | 4072489.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H33 N3 O Si2 |
|---|---|
| Calculated formula | C31 H33 N3 O Si2 |
| SMILES | [Si]1([Si]2(N(CCN2c2ccccc2)c2ccccc2)C)(Oc2ccccc2C(=C)N1Cc1ccccc1)C |
| Title of publication | A Disilane with a Hypercoordinate Silicon Atom: Coordination of an Imine Ligand versus Si−Si Bond Splitting |
| Authors of publication | Wagler, Jörg |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 1 |
| Pages of publication | 155 |
| a | 8.3473 ± 0.0003 Å |
| b | 12.1119 ± 0.0005 Å |
| c | 14.451 ± 0.0006 Å |
| α | 76.46 ± 0.001° |
| β | 86.513 ± 0.001° |
| γ | 83.449 ± 0.001° |
| Cell volume | 1410.26 ± 0.1 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0437 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4072489.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4072489.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072489.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072489.cif |
| 45844 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072488, 4072489, 4072490 via cif-deposit CGI script. |
4072489.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.