Information card for entry 4334986

Structure parameters

• Formula: C11 H15.3 B11 Cl10 Cs N3 O1.15
• Calculated formula: C11 H15.302 B11 Cl10 Cs N3 O1.151
• Title of publication: Click-Like Reactions with the Inert HCB11Cl11- Anion Lead to Carborane-Fused Heterocycles with Unusual Aromatic Character
• Authors of publication: James H. Wright; Christos E. Kefalidis; Fook S. Tham; Laurent Maron; Vincent Lavallo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6223 - 6229
• a: 10.1064 ± 0.0003 Å
• b: 16.4179 ± 0.0005 Å
• c: 17.9612 ± 0.0005 Å
• α: 90°
• β: 99.269 ± 0.001°
• γ: 90°
• Cell volume: 2941.31 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0236
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0485
• 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: Yes
• Has Fobs: No