Information card for entry 7046858

Structure parameters

• Formula: C12 H27 O3 P S
• Calculated formula: C12 H27 O3 P S
• Title of publication: Crystalline, room-temperature stable phosphine-SO₂ adducts: generation of sulfur monoxide from sulfur dioxide.
• Authors of publication: Buß, Florenz; Rotering, Philipp; Mück-Lichtenfeld, Christian; Dielmann, Fabian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10420 - 10424
• a: 8.04457 ± 0.00008 Å
• b: 13.70329 ± 0.00014 Å
• c: 13.50419 ± 0.00012 Å
• α: 90°
• β: 91.7658 ± 0.0004°
• γ: 90°
• Cell volume: 1487.96 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No