Information card for entry 7122675

Structure parameters

• Formula: C9 H18 B10 N2 O
• Calculated formula: C9 H18 B10 N2 O
• Title of publication: Iridium-Induced Regioselective B-H and C-H Activations at Azo-Substituted m-Carboranes: Facile Access to Polynuclear Complexes
• Authors of publication: Jin, Guo-Xin; Gao, Yang; Guo, Shu-Ting; Cui, Peng-Fei; Pemán, Francisco Aznárez
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 20.615 ± 0.013 Å
• b: 10.897 ± 0.007 Å
• c: 13.916 ± 0.009 Å
• α: 90°
• β: 90.229 ± 0.012°
• γ: 90°
• Cell volume: 3126 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No