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Information card for entry 2200471
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| Coordinates | 2200471.cif |
|---|---|
| Structure factors | 2200471.hkl |
| Original IUCr paper | HTML |
| Formula | C20 H34 Cl2 Cu N6 O8 |
|---|---|
| Calculated formula | C20 H34 Cl2 Cu N6 O8 |
| SMILES | [Cu]1234[N]5(CC[N]1(CC[N]2(CC5)C)C)CC[N]3(Cc1n4c2c([n]1C)cccc2)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | {2-(4,7-Dimethyl-1,4,7-triazacyclonon-1-yl)-<i>N</i>-methyl-<i>N</i>-[(1-methylbenzimidazol-2-yl)methyl]ethylamine}copper(II) bis(perchlorate) |
| Authors of publication | Daly, Robert I.; Hockless, David C. R.; Taylor, Max R.; Martin, Lisandra L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | m355 - m356 |
| a | 12.978 ± 0.002 Å |
| b | 16.518 ± 0.002 Å |
| c | 23.95 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5134.2 ± 1.3 Å3 |
| Cell temperature | 213.2 K |
| Ambient diffraction temperature | 213.2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.377 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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