Information card for entry 4327962

Structure parameters

• Formula: C86 H111 Na O13 S Si
• Calculated formula: C86 H111 Na O13 S Si
• SMILES: c1(c(cccc1C(C)C)C(C)C)O[Si](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)[S-].[Na]12345678([O]9c%10cc%11ccccc%11cc%10[O]1CC[O]2CC[O]3CC[O]4CC9)[O]1c2cc3ccccc3cc2[O]5CC[O]6CC[O]7CC[O]8CC1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Intramolecular Interactions in Crystals of Tris(2,6-diisopropylphenoxy)silanethiol and Its Sodium Salts
• Authors of publication: Anna Dołęga; Wojciech Marynowski; Katarzyna Baranowska; Maciej Śmiechowski; Janusz Stangret
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 836 - 843
• a: 15.0557 ± 0.0006 Å
• b: 16.9264 ± 0.0008 Å
• c: 16.9715 ± 0.0007 Å
• α: 82.752 ± 0.004°
• β: 87.179 ± 0.004°
• γ: 68.636 ± 0.004°
• Cell volume: 3995.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0973
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No