Information card for entry 7122676

Structure parameters

• Formula: C19 H32 B10 Cl Ir N2 O
• Calculated formula: C19 H32 B10 Cl Ir 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: 8.7748 ± 0.0016 Å
• b: 12.003 ± 0.002 Å
• c: 25.147 ± 0.005 Å
• α: 82.735 ± 0.003°
• β: 83.775 ± 0.003°
• γ: 86.97 ± 0.003°
• Cell volume: 2609.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No