Information card for entry 7125811

Structure parameters

• Formula: C50 H74 B10 N6 Si2
• Calculated formula: C50 H74 B10 N6 Si2
• Title of publication: Homocoupling of CO and isocyanide mediated by a C,C'-bis(silylenyl)-substituted ortho-carborane.
• Authors of publication: Xiong, Yun; Yao, Shenglai; Szilvási, Tibor; Ruzicka, Ales; Driess, Matthias
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 747 - 750
• a: 16.3688 ± 0.0002 Å
• b: 16.3773 ± 0.0002 Å
• c: 20.0064 ± 0.0002 Å
• α: 90°
• β: 96.451 ± 0.001°
• γ: 90°
• Cell volume: 5329.29 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No