Information card for entry 7131038

Structure parameters

• Formula: C52 H60 B11 N7 O2
• Calculated formula: C52 H60 B11 N7 O2
• Title of publication: Palladium-catalyzed B7-11 penta-arylation of the {CB₁₁} monocarborane cluster.
• Authors of publication: Jin, Yujie; Sun, Jizeng; Zhang, Kang; Liu, Jiyong; Wörle, Michael; Duttwyler, Simon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 67 - 70
• a: 10.777 ± 0.0009 Å
• b: 16.0486 ± 0.0013 Å
• c: 16.0708 ± 0.0011 Å
• α: 100.693 ± 0.003°
• β: 90.559 ± 0.003°
• γ: 101.575 ± 0.003°
• Cell volume: 2672.5 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No