Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4073207
Preview
| Coordinates | 4073207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 Cl2 Cr N Si |
|---|---|
| Calculated formula | C20 H24 Cl2 Cr N Si |
| SMILES | [Cr]12345(Cl)(Cl)[n]6c7c(cccc7ccc6)[c]61[c]2([c]3([c]4([c]56C)C)C)[Si](C)(C)C |
| Title of publication | 1H NMR Investigation of Paramagnetic Chromium(III) Olefin Polymerization Catalysts: Experimental Results, Shift Assignment and Prediction by Quantum Chemical Calculations† |
| Authors of publication | Fernández, Pablo; Pritzkow, Hans; Carbó, Jorge J.; Hofmann, Peter; Enders, Markus |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 18 |
| Pages of publication | 4402 |
| a | 8.6425 ± 0.0005 Å |
| b | 10.0291 ± 0.0006 Å |
| c | 13.5776 ± 0.0009 Å |
| α | 97.051 ± 0.001° |
| β | 100.808 ± 0.001° |
| γ | 114.19 ± 0.001° |
| Cell volume | 1027.98 ± 0.11 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0728 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178621 (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 4/07/32. |
4073207.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073207.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073207.cif |
| 46221 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073205, 4073206, 4073207, 4073208, 4073209, 4073210 via cif-deposit CGI script. |
4073207.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.