Information card for entry 7111441

Structure parameters

• Common name: 1,3-Di-tert.butyl-2-chloro-1,3,2-diazastibolenium trisfluoromethane sulfonate
• Chemical name: 1,3-Di-tert.butyl-2-chloro-1,3,2-diazastibolenium trisfluoromethane sulfonate
• Formula: C12 H22 Cl2 F3 N2 O3 S Sb
• Calculated formula: C12 H22 Cl2 F3 N2 O3 S Sb
• SMILES: [Sb]1=[N+](C=CN1C(C)(C)C)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl
• Title of publication: Synthesis and unprecedented oxidation of a cationic Sb-analogue of an Arduengo's carbene
• Authors of publication: Gudat, Dietrich; Gans-Eichler, Timo; Nieger, Martin
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 21
• Pages of publication: 2434 - 2435
• a: 11.0192 ± 0.0001 Å
• b: 10.3184 ± 0.0001 Å
• c: 18.6936 ± 0.0002 Å
• α: 90°
• β: 104.138 ± 0.001°
• γ: 90°
• Cell volume: 2061.09 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No