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Information card for entry 7112110
Preview
| Coordinates | 7112110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C170 H143 Ce4 N29 O30 |
|---|---|
| Calculated formula | C170.02 H127 Ce4 N29 O30.08 |
| Title of publication | Fluorescent detection of RDX within DHPA-containing metal-organic polyhedra |
| Authors of publication | Liang Zhao; Yulu Chu; Cheng He; Chunying Duan |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3467 |
| a | 18.598 ± 0.003 Å |
| b | 18.598 ± 0.003 Å |
| c | 31.814 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11004 ± 3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.1269 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.2276 |
| Weighted residual factors for all reflections included in the refinement | 0.2566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.