Information card for entry 4104606

Structure parameters

• Formula: C71.82 H28.38 B3 F45 K N3 O6.46
• Calculated formula: C71.826 H28.383 B3 F45 K N3 O6.4565
• Title of publication: Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts
• Authors of publication: Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8958 - 8970
• a: 18.433 ± 0.004 Å
• b: 19.776 ± 0.004 Å
• c: 24.987 ± 0.005 Å
• α: 68.15 ± 0.03°
• β: 81.19 ± 0.03°
• γ: 71.5 ± 0.03°
• Cell volume: 8011 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No