Information card for entry 2011815

Structure parameters

• Chemical name: Tris(tert-butyl)phosphine selenide
• Formula: C12 H27 P Se
• Calculated formula: C12 H27 P Se
• Title of publication: Tris(<i>tert</i>-butyl)phosphine selenide, the missing link in tris(<i>tert</i>-butyl)phosphine chalcogenide structures ^<i>t^</i>Bu~3~P=<i>X</i> (<i>X</i> = O, S, Se, Te)
• 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: 3
• Pages of publication: 323 - 324
• a: 14.4773 ± 0.0018 Å
• b: 14.4773 ± 0.0018 Å
• c: 14.4773 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3034.3 ± 0.7 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: 0.023
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes