Information card for entry 7042881

Structure parameters

• Formula: C21 H51 K N2 O6 Si2
• Calculated formula: C21 H51 K N2 O6 Si2
• SMILES: [K]123456([N]([Si](C)(C)C)[Si](C)(C)C)[O](CC[N]6(CC[O]2CC[O]3C)CC[O]4CC[O]5C)CC[O]1C
• Title of publication: Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)
• Authors of publication: Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.363 ± 0.0006 Å
• b: 10.6131 ± 0.0006 Å
• c: 15.712 ± 0.0006 Å
• α: 88.518 ± 0.004°
• β: 84.889 ± 0.004°
• γ: 61.994 ± 0.006°
• Cell volume: 1519.39 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No