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Information card for entry 1556559
Preview
| Coordinates | 1556559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H26 Br2 N4 Zn |
|---|---|
| Calculated formula | C13 H26 Br2 N4 Zn |
| SMILES | Br[Zn]1([N](=C2N(C)CCN2C)[C@H]2CC[C@](C)(C2(C)C)[NH2]1)Br |
| Title of publication | Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide |
| Authors of publication | Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S. |
| Journal of publication | Inorganics |
| Year of publication | 2017 |
| Journal volume | 5 |
| Pages of publication | 85 |
| a | 9.2972 ± 0.0019 Å |
| b | 14.257 ± 0.003 Å |
| c | 13.2 ± 0.003 Å |
| α | 90° |
| β | 101.844 ± 0.003° |
| γ | 90° |
| Cell volume | 1712.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245055 (current) | 2019-12-13 | cif/ Adding structures of 1556559 via cif-deposit CGI script. |
1556559.cif |
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Users of the data should acknowledge the original authors of the
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