Information card for entry 7701480

Structure parameters

• Formula: C12 H8 P2 S4
• Calculated formula: C12 H8 P2 S4
• 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: 7.2588 ± 0.0015 Å
• b: 6.1271 ± 0.0012 Å
• c: 15.846 ± 0.003 Å
• α: 90°
• β: 104.17 ± 0.03°
• γ: 90°
• Cell volume: 683.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.081
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No