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Information card for entry 2202344
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| Coordinates | 2202344.cif |
|---|---|
| Structure factors | 2202344.hkl |
| Original IUCr paper | HTML |
| Formula | C17 H25 Co N6 O9 |
|---|---|
| Calculated formula | C17 H25 Co N6 O9 |
| SMILES | [Co]12([N]3[C@@H](COC=3c3[n]1c(ccc3)C1OC[C@H]([N]2=1)C(C)C)C(C)C)(N(=O)=O)(N(=O)=O)N(=O)=O.O |
| Title of publication | {2,6-Bis[(4<i>R</i>)-(+)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-κ^3^<i>N</i>}trinitrocobalt(III) monohydrate |
| Authors of publication | Panosyan, Francis B.; Lough, Alan J.; Chin, Jik |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 8 |
| Pages of publication | m695 - m697 |
| a | 6.7185 ± 0.0003 Å |
| b | 16.5766 ± 0.0008 Å |
| c | 20.2149 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2251.33 ± 0.19 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1026 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.134 |
| Weighted residual factors for all reflections included in the refinement | 0.1533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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