Information card for entry 4073847

Structure parameters

• Formula: C50 H17 B2 Cl2 F20 N3
• Calculated formula: C50 H17 B2 Cl2 F20 N3
• SMILES: [B]12([N]([B]3(c4c1c(c(c(c4F)F)F)F)c1c(c(c(c(c1c1c(c(c(c(c31)F)F)F)F)F)F)F)F)=N#N)c1c(c(c(c(c1c1c(c(c(c(c21)F)F)F)F)F)F)F)F.[C+](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Formation of Chelated Counteranions Using Lewis Acidic Diboranes: Relevance to Isobutene Polymerization
• Authors of publication: Chai, Jianfang; Lewis, Stewart P.; Collins, Scott; Sciarone, Timo J. J.; Henderson, Lee D.; Chase, Preston A.; Irvine, Geoffrey J.; Piers, Warren E.; Elsegood, Mark R. J.; Clegg, William
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5667
• a: 37.975 ± 0.004 Å
• b: 10.9235 ± 0.0011 Å
• c: 21.671 ± 0.002 Å
• α: 90°
• β: 91.987 ± 0.002°
• γ: 90°
• Cell volume: 8984.2 ± 1.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No