Information card for entry 4116174

Structure parameters

• Formula: C49 H27 B2 F30 N3 O
• Calculated formula: C49 H27 B2 F30 N3 O
• SMILES: n1([B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cn([B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc1.O1CCCC1.[NH+](CC)(CC)CC
• Title of publication: New Family of Weakly Coordinating Anions
• Authors of publication: Robert E. LaPointe; Gordon R. Roof; Khalil A. Abboud; Jerzy Klosin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 9560 - 9561
• a: 13.4968 ± 0.0008 Å
• b: 17.822 ± 0.001 Å
• c: 21.321 ± 0.001 Å
• α: 78.194 ± 0.001°
• β: 79.992 ± 0.001°
• γ: 87.845 ± 0.001°
• Cell volume: 4943.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No