Information card for entry 1571656

Structure parameters

• Formula: C22 H41 B20 N2 Rh S2
• Calculated formula: C22 H41 B20 N2 Rh S2
• Title of publication: Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.
• Authors of publication: Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 9274 - 9280
• a: 19.052 ± 0.002 Å
• b: 13.3058 ± 0.0015 Å
• c: 13.995 ± 0.002 Å
• α: 90°
• β: 99.388 ± 0.008°
• γ: 90°
• Cell volume: 3500.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1225
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No