Information card for entry 7047423

Structure parameters

• Formula: C18 H32 B10 Ir N O2
• Calculated formula: C18 H30 B10 Ir N O2
• Title of publication: Regioselective B-H/C-H activation and metal-metal bond formation induced by half-sandwich metals complexes at hydroxy-substituted o-carboranes.
• Authors of publication: Guo, Shu-Ting; Cui, Peng-Fei; Gao, Yang; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13641 - 13646
• a: 8.746 ± 0.0019 Å
• b: 18.478 ± 0.004 Å
• c: 14.961 ± 0.003 Å
• α: 90°
• β: 99.519 ± 0.003°
• γ: 90°
• Cell volume: 2384.5 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0456
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No