Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7019302
Preview
| Coordinates | 7019302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H32 Cr N2 O |
|---|---|
| Calculated formula | C29 H32 Cr N2 O |
| SMILES | C1c2cccc[n]2[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)([N]=1c1c(cc(cc1C)C)C)OC(C)(C)c1ccccc1 |
| Title of publication | Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry. |
| Authors of publication | Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 26 |
| Pages of publication | 7920 - 7930 |
| a | 8.2157 ± 0.0007 Å |
| b | 8.8464 ± 0.0008 Å |
| c | 16.8445 ± 0.0015 Å |
| α | 89.077 ± 0.002° |
| β | 89.842 ± 0.002° |
| γ | 77.669 ± 0.002° |
| Cell volume | 1195.85 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0811 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179897 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/93. |
7019302.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019302.cif |
| 62834 | 2012-07-09 | cif/ Adding structures of 7019295, 7019296, 7019297, 7019298, 7019299, 7019300, 7019301, 7019302, 7019303 via cif-deposit CGI script. |
7019302.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.