Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4075682
Preview
| Coordinates | 4075682.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Salme*)3SiPh*1/2p-Xylene |
|---|---|
| Chemical name | Tris-(2-oxyacetophenone-N-methyliminato)phenylsilane p-Xylene solvate |
| Formula | C37 H40 N3 O3 Si |
| Calculated formula | C37 H40 N3 O3 Si |
| Title of publication | Equilibrium between Tetra-, Penta-, and Hexacoordinate Imine and Enamine Chelates of Silicon: Crystal Structure and Variable-Temperature NMR |
| Authors of publication | Wagler, Jörg; Böhme, Uwe; Brendler, Erica; Roewer, Gerhard |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 6 |
| Pages of publication | 1348 |
| a | 11.889 ± 0.002 Å |
| b | 21.871 ± 0.004 Å |
| c | 12.464 ± 0.003 Å |
| α | 90° |
| β | 101.94 ± 0.03° |
| γ | 90° |
| Cell volume | 3170.8 ± 1.2 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 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 | 0.0729 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| 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. |
4075682.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4075682.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075682.cif |
| 50619 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075681, 4075682 via cif-deposit CGI script. |
4075682.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.