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Information card for entry 2204277
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| Coordinates | 2204277.cif |
|---|---|
| Structure factors | 2204277.hkl |
| Original IUCr paper | HTML |
| Chemical name | (dibenzo-18-crown-6)[phenyl(2-pyridyl)amido]rubidium(I) |
|---|---|
| Formula | C31 H33 N2 O6 Rb |
| Calculated formula | C31 H33 N2 O6 Rb |
| SMILES | [Rb]123456([n]7ccccc7N1c1ccccc1)[O]1CC[O]2c2ccccc2[O]3CC[O]4CC[O]5c2ccccc2[O]6CC1 |
| Title of publication | (Dibenzo-18-crown-6)(2-phenylamidopyridine)rubidium(I) |
| Authors of publication | Clegg, William; Liddle, Stephen T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 10 |
| Pages of publication | m1492 - m1494 |
| a | 8.1464 ± 0.0005 Å |
| b | 23.5768 ± 0.0014 Å |
| c | 15.2385 ± 0.0009 Å |
| α | 90° |
| β | 96.626 ± 0.002° |
| γ | 90° |
| Cell volume | 2907.2 ± 0.3 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0602 |
| Weighted residual factors for all reflections included in the refinement | 0.0616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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