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CIF Information Card
Information card for 7205809
7205808 << 7205809 >> 7205810Preview
|
Coordinates |
7205809.cif |
Structure parameters
| Formula | - C72 H84 K8 O14 S8 - |
| Calculated formula | - C72 H84 K8 O14 S8 - |
| Title of publication | Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements |
| Authors of publication | Yamada, Manabu; Hamada, Fumio |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 2494 |
| a | 12.7148 ± 0.0006 Å |
| b | 13.1573 ± 0.0005 Å |
| c | 23.569 ± 0.0012 Å |
| α | 90° |
| β | 98.144 ± 0.0017° |
| γ | 90° |
| Cell volume | 3903.2 ± 0.3 Å3 |
| Cell temperature | 120.1 K |
| Ambient diffraction temperature | 120.1 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for observed reflections | 0.0559 |
| Weighted residual factors for all reflections included in the refinement | 0.1884 |
| Goodness-of-fit parameter for observed reflections | 1.047 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |