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Information card for entry 7227214
Preview
| Coordinates | 7227214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H40 Br2 Co N2 |
|---|---|
| Calculated formula | C36 H40 Br2 Co N2 |
| SMILES | Br[Co]1(Br)[N](=C2C(=[N]1c1c(cccc1C(C)C)C(C)C)c1cccc3cccc2c13)c1c(C(C)C)cccc1C(C)C |
| Title of publication | Alpha and beta diimine cobalt complexes in isoprene polymerization: a comparative study |
| Authors of publication | Alnajrani, Mohammed; Alshmimri, Sultan A.; Alsager, Omar A. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 27.1936 ± 0.0017 Å |
| b | 12.096 ± 0.0005 Å |
| c | 22.8296 ± 0.0011 Å |
| α | 90° |
| β | 113.511 ± 0.007° |
| γ | 90° |
| Cell volume | 6886 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.104 |
| Residual factor for significantly intense reflections | 0.0751 |
| Weighted residual factors for significantly intense reflections | 0.1654 |
| Weighted residual factors for all reflections included in the refinement | 0.1763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203412 (current) | 2017-11-21 | cif/7 Fixing Z values and formulae accordingly. |
7227214.cif |
| 188804 | 2016-12-01 | cif/ Adding structures of 7227214, 7227215 via cif-deposit CGI script. |
7227214.cif |
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Users of the data should acknowledge the original authors of the
structural data.