Information card for entry 4115647

Structure parameters

• Formula: C30 H41 K O6 Si
• Calculated formula: C30 H41 K O6 Si
• SMILES: [SiH2](c1ccccc1)(c1ccccc1)c1ccccc1.[K]12345[O]6CC[O]3CC[O]2CC[O]4CC[O]5CC[O]1CC6
• 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 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No