Information card for entry 2202975

Structure parameters

• Chemical name: Sperminium tri-tert-butoxysilanethiolate‒2-propanol (1/2)
• Formula: C20 H49 N2 O4 S Si
• Calculated formula: C20 H49 N2 O4 S Si
• Title of publication: Sperminium bis(tri-<i>tert</i>-butoxysilanethiolate)‒2-propanol (1/2)
• Authors of publication: Katarzyna Baranowska; Jaroslaw Chojnacki; Wieslaw Wojnowski; Barbara Becker
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o2022 - o2024
• a: 9.419 ± 0.002 Å
• b: 12.97 ± 0.003 Å
• c: 13.525 ± 0.003 Å
• α: 102.08 ± 0.03°
• β: 108.64 ± 0.03°
• γ: 109.65 ± 0.03°
• Cell volume: 1378.4 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes