Information card for entry 2012645

Structure parameters

• Chemical name: Tris-n-propylphosphine-dithiomonometaphosphoryl chloride
• Formula: C9 H21 Cl P2 S2
• Calculated formula: C9 H21 Cl0.99999 P2 S2.00001
• Title of publication: Triorganophosphine‒dithiomonometaphosphoryl halides
• Authors of publication: Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o247 - o250
• a: 11.413 ± 0.003 Å
• b: 11.413 ± 0.004 Å
• c: 13.566 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1530.3 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No