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Information card for entry 1556618
Preview
| Coordinates | 1556618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H26 Br Cu N6 |
|---|---|
| Calculated formula | C17 H26 Br Cu N6 |
| SMILES | Br[Cu]1[N](=C2N(CCN2C)C)c2ccccc2C[N]1=C1N(C)CCN1C |
| Title of publication | Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis |
| Authors of publication | Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S. |
| Journal of publication | Inorganics |
| Year of publication | 2018 |
| Journal volume | 6 |
| Pages of publication | 114 |
| a | 7.1936 ± 0.001 Å |
| b | 12.8127 ± 0.0017 Å |
| c | 20.599 ± 0.003 Å |
| α | 90° |
| β | 93.439 ± 0.002° |
| γ | 90° |
| Cell volume | 1895.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0465 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245255 (current) | 2019-12-17 | cif/ Adding structures of 1556618 via cif-deposit CGI script. |
1556618.cif |
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Users of the data should acknowledge the original authors of the
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