Information card for entry 7113866

Structure parameters

• Common name: complex 2
• Formula: C23 H11 B F15 N
• Calculated formula: C23 H11 B F15 N
• SMILES: [B](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)[NH]1CCCCC1
• Title of publication: Intra- and inter-molecular C‒H⋯F‒C and N‒H⋯F‒C hydrogen bonding in secondary amine adducts of B(C6F5)3: relevance to key interactions in alkene polymerisation catalysis
• Authors of publication: Mountford, Andrew J.; Hughes, David L.; Lancaster, Simon J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2148 - 2149
• a: 10.186 ± 0.002 Å
• b: 13.026 ± 0.003 Å
• c: 17.501 ± 0.004 Å
• α: 90°
• β: 96.63 ± 0.03°
• γ: 90°
• Cell volume: 2306.6 ± 0.9 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Duplicate of: 7103875
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No