Information card for entry 7041545

Structure parameters

• Formula: C25 H37 B10 Ir N2 O S
• Calculated formula: C25 H37 B10 Ir N2 O S
• Title of publication: Efficient synthesis of carborane azo derivatives and their reactivity.
• Authors of publication: Gao, Yang; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1585 - 1592
• a: 11.485 ± 0.003 Å
• b: 23.793 ± 0.006 Å
• c: 12.051 ± 0.003 Å
• α: 90°
• β: 111.001 ± 0.004°
• γ: 90°
• Cell volume: 3074.3 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No