Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7101865
7101864 << 7101865 >> 7101866Preview
|
Coordinates |
7101865.cif |
Structure parameters
| Formula | - C24 H56 Cs2 O23 P2 - |
| Calculated formula | - C24 H50 Cs2 O23 P2 - |
| 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 | 25.042 ± 0.005 Å |
| b | 8.248 ± 0.003 Å |
| c | 20.208 ± 0.003 Å |
| α | 90° |
| β | 99.66 ± 0.02° |
| γ | 90° |
| Cell volume | 4114.7 ± 1.8 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 | 0.0462 |
| Residual factor for observed reflections | 0.0354 |
| Weighted residual factors for the observed reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.1032 |
| Goodness-of-fit parameter for observed reflections | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |