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Information card for entry 2200788
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| Coordinates | 2200788.cif |
|---|---|
| Structure factors | 2200788.hkl |
| Original IUCr paper | HTML |
| Common name | copper(II)diene dichloride |
|---|---|
| Formula | C8 H28 Cl4 Cu2 N6 O |
| Calculated formula | C8 H28 Cl4 Cu2 N6 O |
| SMILES | O.[NH2]1[Cu]2(Cl)([Cl][Cu]34[NH2]CC[NH]3CC[NH2]4)[NH2]CC[NH]2CC1.[Cl-].[Cl-] |
| Title of publication | Aqua-di-μ~2~-chloro-bis(diethylenetriamine)dicopper(II) dichloride |
| Authors of publication | Willett, Roger D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 12 |
| Pages of publication | m605 - m606 |
| a | 6.7155 ± 0.0008 Å |
| b | 14.6106 ± 0.0011 Å |
| c | 10.3011 ± 0.0008 Å |
| α | 90° |
| β | 95.333 ± 0.01° |
| γ | 90° |
| Cell volume | 1006.34 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for all reflections included in the refinement | 0.1159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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