Information card for entry 4076361

Structure parameters

• Chemical name: (1,3-Dimethyl-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene-κ<i>C</i>^2^)trifluoroboron
• Formula: C6 H10 B F3 N2
• Calculated formula: C6 H10 B F3 N2
• Title of publication: High-Yield Thermolytic Conversion of Imidazolium Salts into Arduengo Carbene Adducts with BF3and PF5
• Authors of publication: Tian, Chong; Nie, Wanli; Borzov, Maxim V.; Su, Pengfei
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1751
• a: 7.2873 ± 0.0008 Å
• b: 7.7101 ± 0.0008 Å
• c: 15.1225 ± 0.0016 Å
• α: 90°
• β: 101.933 ± 0.002°
• γ: 90°
• Cell volume: 831.31 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No