Information card for entry 7042679

Structure parameters

• Chemical name: H(CH3CN)(THF)[1]
• Formula: C28.8 H18.5 Cl12 N3.11 O7.15 P
• Calculated formula: C28.804 H18.504 Cl12 N3.104 O7.149 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: 11.823 ± 0.003 Å
• b: 12.984 ± 0.003 Å
• c: 14.193 ± 0.003 Å
• α: 66.919 ± 0.005°
• β: 83.382 ± 0.006°
• γ: 84.392 ± 0.005°
• Cell volume: 1987.7 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0766
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No