Information card for entry 7102497

Structure parameters

• Common name: 3-methyl-n-butylammonium tri-tert-butoxysilanethiolate
• Chemical name: 3-methyl-n-butylammonium tri-tert-butoxysilanethiolate
• Formula: C75 H172 N4 O12 S4 Si4
• Calculated formula: C75 H172 N4 O12 S4 Si4
• Title of publication: Cubane-like structure of a silanethiol–primary amine assembly–a novel, unusual hydrogen bond pattern.
• Authors of publication: Becker, Barbara; Baranowska, Katarzyna; Chojnacki, Jaroslaw; Wojnowski, Wieslaw
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 620 - 621
• a: 21.709 ± 0.004 Å
• b: 15.326 ± 0.003 Å
• c: 30.588 ± 0.006 Å
• α: 90°
• β: 91.96 ± 0.03°
• γ: 90°
• Cell volume: 10171 ± 3 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1982
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No