Information card for entry 7110591

Structure parameters

• Formula: C56 H15 B2 F30 N
• Calculated formula: C56 H15 B2 F30 N
• SMILES: [N]([B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)#C[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[C+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New weakly coordinating counter anions for high activity polymerisation catalysts: [(C6F5)3B‒CN‒B(C6F5)3]− and [Ni{CNB(C6F5)3}4]2−
• Authors of publication: Lancaster, Simon J.; Walker, Dennis A.; Thornton-Pett, Mark; Bochmann, Manfred
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 1533
• a: 13.3342 ± 0.0002 Å
• b: 14.8405 ± 0.0002 Å
• c: 15.8631 ± 0.0002 Å
• α: 116.437 ± 0.0006°
• β: 90.944 ± 0.0007°
• γ: 113.641 ± 0.0005°
• Cell volume: 2501.1 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No