Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7015571
7015570 << 7015571 >> 7015572Preview
|
Coordinates |
7015571.cif |
Structure parameters
| Formula | - C21 H22.5 Cu F6 N4 O6.5 S2 - |
| Calculated formula | - C21 H22.5 Cu F6 N4 O6.5 S2 - |
| Title of publication | When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction. |
| Authors of publication | Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 14 |
| Pages of publication | 3677 - 3682 |
| a | 8.89 ± 0.0002 Å |
| b | 11.479 ± 0.0003 Å |
| c | 15.482 ± 0.0005 Å |
| α | 111.62 ± 0.001° |
| β | 101.199 ± 0.001° |
| γ | 93.665 ± 0.001° |
| Cell volume | 1424.81 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 |
| Hall symmetry space group | P 1 |
| Residual factor for all reflections | 0.0922 |
| Residual factor for observed reflections | 0.0585 |
| Weighted residual factors for the observed reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1559 |
| Goodness-of-fit parameter for observed reflections | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |