Information card for entry 7122674

Structure parameters

• Formula: C40 H66 B10 Cl2 F3 Ir3 N2 O7 S
• Calculated formula: C39 H60 B10 Cl2 Ir3 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: 12.3557 ± 0.0019 Å
• b: 15.739 ± 0.002 Å
• c: 16.743 ± 0.003 Å
• α: 62.772 ± 0.002°
• β: 69.902 ± 0.002°
• γ: 89.159 ± 0.003°
• Cell volume: 2679 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.137
• 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: No
• Has Fobs: No