Information card for entry 7701481

Structure parameters

• Formula: C6 H4 Cl P S2
• Calculated formula: C6 H4 Cl P S2
• Title of publication: Structure-property-reactivity studies on dithiaphospholes
• Authors of publication: Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 5.9973 ± 0.0004 Å
• b: 17.0236 ± 0.0015 Å
• c: 7.9817 ± 0.0005 Å
• α: 90°
• β: 97.205 ± 0.007°
• γ: 90°
• Cell volume: 808.46 ± 0.1 ų
• Cell temperature: 423 ± 2 K
• Ambient diffraction temperature: 423 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No