Information card for entry 7121375

Structure parameters

• Formula: C80 H112 B2 Cl2 K2 N2 O12
• Calculated formula: C80 H112 B2 Cl2 K2 N2 O12
• Title of publication: Direct access to a cAAC-supported dihydrodiborene and its dianion.
• Authors of publication: Arrowsmith, Merle; Mattock, James D.; Böhnke, Julian; Krummenacher, Ivo; Vargas, Alfredo; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 37
• Pages of publication: 4669 - 4672
• a: 14.7415 ± 0.0008 Å
• b: 20.0443 ± 0.0013 Å
• c: 22.6574 ± 0.0015 Å
• α: 112.102 ± 0.002°
• β: 90.824 ± 0.002°
• γ: 110.44 ± 0.002°
• Cell volume: 5729.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No