Information card for entry 2012644

Structure parameters

• Chemical name: Diphenylmonoethylphosphine-dithiomonometaphosphoryl chloride
• Formula: C14 H15 Cl P2 S2
• Calculated formula: C14 H15 Cl P2 S2
• SMILES: [P+](CC)(c1ccccc1)(c1ccccc1)P(Cl)(=S)[S-]
• 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: 13.204 ± 0.001 Å
• b: 9.694 ± 0.001 Å
• c: 13.655 ± 0.001 Å
• α: 90°
• β: 117.11 ± 0.01°
• γ: 90°
• Cell volume: 1555.8 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 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: 0.03
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes