Information card for entry 4118815

Structure parameters

• Chemical name: N,N-bis(trimethylsilyl)amino-trimethylsilylisonitrilium tetrakis(pentafluorophenyl)borate
• Formula: C34 H27 B F20 N2 Si3
• Calculated formula: C34 H27 B F20 N2 Si3
• SMILES: [Si](C#[N+]N([Si](C)(C)C)[Si](C)(C)C)(C)(C)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)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Catalytic Trimerization of Bis-silylated Diazomethane
• Authors of publication: Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 17757 - 17768
• a: 16.8725 ± 0.0009 Å
• b: 12.8944 ± 0.0007 Å
• c: 19.1131 ± 0.0011 Å
• α: 90°
• β: 104.297 ± 0.002°
• γ: 90°
• Cell volume: 4029.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No