Information card for entry 2012646

Structure parameters

• Chemical name: Tris-n-propylphosphine-dithiomonometaphosphoryl bromide
• Formula: C9 H21 Br P2 S2
• Calculated formula: C9 H21 Br0.9999 P2 S2.0001
• 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: 11.522 ± 0.003 Å
• b: 11.522 ± 0.003 Å
• c: 13.45 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1546.4 ± 0.7 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: 0.06
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes