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Information card for entry 2200059
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| Coordinates | 2200059.cif |
|---|---|
| Structure factors | 2200059.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(nitrato)(1,4,7,10,13-pentaoxacyclopentadecane)praseodymium(III) |
|---|---|
| Formula | C10 H20 N3 O14 Pr |
| Calculated formula | C10 H20 N3 O14 Pr |
| SMILES | [Pr]1234567(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)[O]1CC[O]4CC[O]5CC[O]6CC[O]7CC1 |
| Title of publication | Rare earth crown ether complexes: (15-crown-5)tris(nitrato)praseodymium(III) |
| Authors of publication | McIntosh, Nadine N.; Kahwa, Ishenkumba A.; Mague, Joel T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | m21 - m22 |
| a | 9.3236 ± 0.0005 Å |
| b | 14.5789 ± 0.0014 Å |
| c | 13.6184 ± 0.0006 Å |
| α | 90° |
| β | 95.361 ± 0.004° |
| γ | 90° |
| Cell volume | 1843 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.045 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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