Information card for entry 2012064

Structure parameters

• Chemical name: tris-tert.-butyl-phosphine sulfide
• Formula: C12 H27 P S
• Calculated formula: C12 H27 P S
• Title of publication: Tris(<i>tert</i>-butyl)phosphine sulfide, a phosphine sulfide with three bulky substituents
• Authors of publication: Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 835 - 837
• a: 14.232 ± 0.012 Å
• b: 14.232 ± 0.012 Å
• c: 14.232 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2883 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes