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Information card for entry 2008879
Preview
| Coordinates | 2008879.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C14 H34 Cl2 N4 O2 Pd |
|---|---|
| Calculated formula | C14 H34 Cl2 N4 O2 Pd |
| SMILES | [Pd]123(Cl)[N]45CC[N]1(CCC[N]2(CC[N]3(CCC4)C)CC5)C.[Cl-].O.O.O |
| Title of publication | The square-pyramidal Pd^II^ complex of a cross-bridged tetraazamacrocycle |
| Authors of publication | Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 1404 - 1406 |
| a | 29.7207 ± 0.0013 Å |
| b | 7.7934 ± 0.0003 Å |
| c | 17.2154 ± 0.0007 Å |
| α | 90° |
| β | 102.392 ± 0.001° |
| γ | 90° |
| Cell volume | 3894.6 ± 0.3 Å3 |
| Cell temperature | 188 ± 2 K |
| Ambient diffraction temperature | 188 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for all reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for all reflections | 0.945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.