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CIF Information Card
Information card for 7101866
7101865 << 7101866 >> 7101867Preview
|
Coordinates |
7101866.cif |
Structure parameters
| Formula | - C12 H30 K O12 P - |
| Calculated formula | - C12 H28 K O12 P - |
| Title of publication | Reversible solid-state reaction between 18-Crown[6] and M[H2PO4](M = K, Rb, Cs) and an investigation of the decomplexation process. |
| Authors of publication | Braga, Dario; Polito, Marco; Dichiarante, Elena; Rubini, Katia; Grepioni, Fabrizia |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 16 |
| Pages of publication | 1594 - 1596 |
| a | 20.281 ± 0.004 Å |
| b | 8.35 ± 0.003 Å |
| c | 24.411 ± 0.006 Å |
| α | 90° |
| β | 92.69 ± 0.02° |
| γ | 90° |
| Cell volume | 4129 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0617 |
| Residual factor for observed reflections | 0.0487 |
| Weighted residual factors for the observed reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.1426 |
| Goodness-of-fit parameter for observed reflections | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |