Information card for entry 4086122

Structure parameters

• Formula: C30 H53 K N O9 Si3
• Calculated formula: C30 H53 K N O9 Si3
• SMILES: [Si-]([Si]23OCCN(CCO2)CCO3)([Si](C)(C)C)c1ccccc1.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]5CC[O]4CC6.c1ccccc1
• Title of publication: Oligosilanylsilatranes.
• Authors of publication: Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3721 - 3731
• a: 10.79 ± 0.002 Å
• b: 10.863 ± 0.002 Å
• c: 16.42 ± 0.003 Å
• α: 93.348 ± 0.003°
• β: 105.422 ± 0.003°
• γ: 99.085 ± 0.003°
• Cell volume: 1821.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No