Information card for entry 7114693

Structure parameters

• Formula: C16 H38 B11 Cl2 N
• Calculated formula: C16 H38 B11 Cl2 N
• Title of publication: Monocarbaborane anion chemistry. The elusive C-arylated [PhCB11H11]‒, [PhCB9H9]‒ and [PhCB8H8]‒ anions
• Authors of publication: Jelínek, Tomáš; Kilner, Colin A.; Thornton-Pett, Mark; Kennedy, John D.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 18
• Pages of publication: 1790
• a: 15.7334 ± 0.0005 Å
• b: 10.8812 ± 0.0004 Å
• c: 15.7928 ± 0.0006 Å
• α: 90°
• β: 110.935 ± 0.0014°
• γ: 90°
• Cell volume: 2525.22 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0863
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No