Information card for entry 1549275

Structure parameters

• Formula: C36 H35 B F15 P
• Calculated formula: C36 H35 B F15 P
• SMILES: [BH](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.C1([PH+](C2CCCCC2)C2CCCCC2)CCCCC1
• 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: 28.898 ± 0.003 Å
• b: 11.2532 ± 0.0009 Å
• c: 21.7565 ± 0.0019 Å
• α: 90°
• β: 105.318 ± 0.005°
• γ: 90°
• Cell volume: 6823.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1662
• Residual factor for significantly intense reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.2947
• Weighted residual factors for all reflections included in the refinement: 0.3337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No