Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4074908
Preview
| Coordinates | 4074908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H93 Cl2 Li N4 Si6 Ti |
|---|---|
| Calculated formula | C47 H93 Cl2 Li N4 Si6 Ti |
| SMILES | [Ti]12(=Nc3c(cc(cc3C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)([Cl][Li]3([Cl]1)[N](CC[N]3(C)C)(C)C)[N](=C(C=C2C)C)c1c(cc(cc1C)C)C |
| Title of publication | Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes |
| Authors of publication | Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 10 |
| Pages of publication | 2457 |
| a | 12.724 ± 0.005 Å |
| b | 12.781 ± 0.006 Å |
| c | 19.884 ± 0.008 Å |
| α | 85.729 ± 0.015° |
| β | 72.206 ± 0.012° |
| γ | 87.54 ± 0.015° |
| Cell volume | 3070 ± 2 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1091 |
| Residual factor for significantly intense reflections | 0.0848 |
| Weighted residual factors for significantly intense reflections | 0.1558 |
| Weighted residual factors for all reflections included in the refinement | 0.1671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178638 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/49. |
4074908.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074908.cif |
| 48953 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074906, 4074907, 4074908, 4074909, 4074910, 4074911, 4074912 via cif-deposit CGI script. |
4074908.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.