Information card for entry 4327961

Structure parameters

• Formula: C72 H106 Na2 O8 S2 Si2
• Calculated formula: C72 H106 Na2 O8 S2 Si2
• SMILES: c1(c(C(C)C)cccc1C(C)C)O[Si](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(C(C)C)cccc1C(C)C)[S]1[Na]([OH2])[S]([Na]1[OH2])[Si](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(C(C)C)cccc1C(C)C)Oc1c(C(C)C)cccc1C(C)C
• 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: 10.7839 ± 0.0005 Å
• b: 12.1344 ± 0.0006 Å
• c: 16.0385 ± 0.0008 Å
• α: 86.689 ± 0.004°
• β: 72.849 ± 0.004°
• γ: 66.292 ± 0.005°
• Cell volume: 1831.72 ± 0.18 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: 0.0573
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No