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Information card for entry 2206774
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| Coordinates | 2206774.cif |
|---|---|
| Structure factors | 2206774.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua(4'-hydroxy-2,2',6',6''-terpyridyl)copper(II) perchlorate |
|---|---|
| Formula | C15 H13 Cl2 Cu N3 O10 |
| Calculated formula | C15 H13 Cl2 Cu N3 O10 |
| SMILES | [Cu]12([n]3ccccc3c3[n]1c(cc(c3)O)c1cccc[n]21)([OH2])OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Aqua(4'-hydroxy-2,2';6',6''-terpyridyl)copper(II) bis(perchlorate) |
| Authors of publication | Jeitler, James R.; Turnbull, Mark M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | m1846 - m1848 |
| a | 8.487 ± 0.004 Å |
| b | 11.23 ± 0.003 Å |
| c | 19.662 ± 0.008 Å |
| α | 90° |
| β | 100.19 ± 0.03° |
| γ | 90° |
| Cell volume | 1844.4 ± 1.3 Å3 |
| Cell temperature | 158 ± 2 K |
| Ambient diffraction temperature | 158 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1166 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.85 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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