Information card for entry 4073846

Structure parameters

• Formula: C50 H17 B2 Cl2 F24 N3
• Calculated formula: C50 H16.9998 B2 Cl1.9999 F24 N3
• 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: 9.5052 ± 0.0008 Å
• b: 24.039 ± 0.002 Å
• c: 20.8556 ± 0.0017 Å
• α: 90°
• β: 99.004 ± 0.002°
• γ: 90°
• Cell volume: 4706.7 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No