Information card for entry 7706520

Structure parameters

• Formula: C20 H11 Cl4 O3 P S2
• Calculated formula: C20 H11 Cl4 O3 P S2
• Title of publication: Structure-reactivity studies on hypervalent square-pyramidal dithieno[3,2-b:2',3'-d]phospholes.
• Authors of publication: Asok, Nayanthara; Gaffen, Joshua R.; Pradhan, Ekadashi; Zeng, Tao; Baumgartner, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 2243 - 2252
• a: 7.4476 ± 0.0007 Å
• b: 12.5959 ± 0.0013 Å
• c: 13.2064 ± 0.0013 Å
• α: 116.199 ± 0.003°
• β: 104.509 ± 0.003°
• γ: 91.081 ± 0.003°
• Cell volume: 1064.13 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No