Information card for entry 7042680

Structure parameters

• Chemical name: H(THF)2[1]
• Formula: C36 H27 Cl16 O11 P
• Calculated formula: C36 H27 Cl16 O11 P
• Title of publication: [HL2][P(1,2-O2C6Cl4)3] (L = THF, DMF): Brønsted acid initiators for the polymerization of n-butyl vinyl ether and p-methoxystyrene
• Authors of publication: Hazin, Khatera; Serin, Spencer C.; Patrick, Brian O.; Ezhova, Maria B.; Gates, Derek P.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.5738 ± 0.0012 Å
• b: 12.1413 ± 0.0013 Å
• c: 17.4244 ± 0.0018 Å
• α: 96.359 ± 0.006°
• β: 100.305 ± 0.005°
• γ: 106.108 ± 0.005°
• Cell volume: 2280.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No