Information card for entry 1549277

Structure parameters

• Formula: C38 H37 B Cl4 F15 P
• Calculated formula: C38 H37 B Cl4 F15 P
• SMILES: ClCCl.ClCCl.[P+](C1CCCCC1)(C1CCCCC1)(C1CCCCC1)c1c(F)c(F)c(c(F)c1F)[B](F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Solid state frustrated Lewis pair chemistry.
• Authors of publication: Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 4859 - 4865
• a: 20.8497 ± 0.0008 Å
• b: 16.0333 ± 0.0006 Å
• c: 23.8954 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7988 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No