Information card for entry 7119647

Structure parameters

• Formula: C31 H29 B Cl F15 O P
• Calculated formula: C32 H33 B Cl2 F15 O2 P
• SMILES: [P+](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)CO.ClCCl.Fc1c([B](O)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F
• Title of publication: Interaction of formaldehyde with a water-tolerant frustrated Lewis pair.
• Authors of publication: Ghattas, Ghazi; Bizzarri, Claudia; Hölscher, Markus; Langanke, Jens; Gürtler, Christoph; Leitner, Walter; Subhani, Muhammad Afzal
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 3205 - 3208
• a: 9.2422 ± 0.0014 Å
• b: 11.3099 ± 0.0017 Å
• c: 18.117 ± 0.003 Å
• α: 104.882 ± 0.002°
• β: 104.203 ± 0.002°
• γ: 96.931 ± 0.002°
• Cell volume: 1739.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No