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CIF Information Card
Information card for 4115647
4115646 << 4115647 >> 4115648Preview
|
Coordinates |
4115647.cif |
Structure parameters
| Formula | - C30 H41 K O6 Si - |
| Calculated formula | - C30 H41 K O6 Si - |
| Title of publication | The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions |
| Authors of publication | Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Pages of publication | 7736 - 7737 |
| a | 9.3861 ± 0.0005 Å |
| b | 20.2252 ± 0.001 Å |
| c | 16.5969 ± 0.001 Å |
| α | 90° |
| β | 103.54 ± 0.003° |
| γ | 90° |
| Cell volume | 3063.1 ± 0.3 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 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 all reflections | 0.1095 |
| Residual factor for observed reflections | 0.0527 |
| Weighted residual factors for the observed reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for observed reflections | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |