Information card for entry 4104604

Structure parameters

• Formula: C50 H30 Ag B2 F30 N3 O3
• Calculated formula: C50 H30 Ag B2 F30 N3 O3
• SMILES: N(C#[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=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.[Ag]([O](CC)CC)([O](CC)CC)[O](CC)CC
• 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: 9.3129 ± 0.0019 Å
• b: 12.772 ± 0.003 Å
• c: 23.118 ± 0.005 Å
• α: 78.87 ± 0.03°
• β: 83.65 ± 0.03°
• γ: 88.61 ± 0.03°
• Cell volume: 2681.5 ± 1.1 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: 0.0358
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No