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Information card for entry 2006891
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| Coordinates | 2006891.cif |
|---|---|
| Structure factors | 2006891.hkl |
| Original IUCr paper | HTML |
| Formula | C19 H26 Cl Co N4 O7 |
|---|---|
| Calculated formula | C19 H26 Cl Co N4 O7 |
| SMILES | [Co]1234(OC(=O)C[NH]2CCC[NH]3CC(=O)O1)[n]1cccc2c1c1[n]4cccc1cc2.[Cl-].O.O.O |
| Title of publication | β-(1,10-Phenanthroline)(1,3-propanediamine-<i>N</i>,<i>N</i>'-diacetato)cobalt(III) Chloride Trihydrate |
| Authors of publication | Hartshorn, Richard M.; Robinson, Ward T.; Telfer, Shane G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 12 |
| Pages of publication | 1757 - 1759 |
| a | 8.715 ± 0.006 Å |
| b | 10.229 ± 0.005 Å |
| c | 25.007 ± 0.012 Å |
| α | 90° |
| β | 96.17 ± 0.04° |
| γ | 90° |
| Cell volume | 2216 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 115 ± 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 | 0.071 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections | 1.026 |
| Goodness-of-fit parameter for significantly intense reflections | 1.042 |
| 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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