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CIF Information Card
Information card for 7205810
7205809 << 7205810 >> 7205811Preview
|
Coordinates |
7205810.cif |
Structure parameters
| Formula | - C100 H72 K8 O23 S16 - |
| Calculated formula | - C100 H72 K8 O23 S16 - |
| 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 | 22.2021 ± 0.001 Å |
| b | 19.4371 ± 0.0009 Å |
| c | 15.8554 ± 0.0006 Å |
| α | 90° |
| β | 130.596 ± 0.0009° |
| γ | 90° |
| Cell volume | 5195.5 ± 0.4 Å3 |
| Cell temperature | 173.1 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 c 1 |
| Hall symmetry space group | C -2yc |
| Residual factor for all reflections | 0.0661 |
| Residual factor for observed reflections | 0.0552 |
| Weighted residual factors for the observed reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.1851 |
| Goodness-of-fit parameter for observed reflections | 1.379 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |