Information card for entry 7042681

Structure parameters

• Chemical name: H(DMF)2[1]
• Formula: C24.2 H14.4 Cl12.4 N2 O8 P
• Calculated formula: C24.2 H14.4 Cl12.4 N2 O8 P
• SMILES: Clc1c2O[P]34(Oc2c(Cl)c(Cl)c1Cl)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O3)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O4.C(N(C)C)=[O][H][O]=CN(C)C.ClCCl
• 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: 40.2932 ± 0.0019 Å
• b: 26.2969 ± 0.0012 Å
• c: 16.772 ± 0.0008 Å
• α: 90°
• β: 104.45 ± 0.002°
• γ: 90°
• Cell volume: 17209.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No