Information card for entry 7046857

Structure parameters

• Formula: C33 H60 N9 O2 P S
• Calculated formula: C33 H60 N9 O2.0001 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: 24.5396 ± 0.0003 Å
• b: 24.5396 ± 0.0003 Å
• c: 24.5396 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14777.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No