Information card for entry 7118075

Structure parameters

• Formula: C22.5 H40 B11 Br2 N
• Calculated formula: C22.5 H36 B11 Br2 N
• Title of publication: The synthesis and structure of a carbene-stabilized iminocarboranyl-boron(I) compound
• Authors of publication: Hao Wang; Jiji Zhang; Zhenyang Lin; Zuowei Xie
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16817
• a: 8.8893 ± 0.0014 Å
• b: 16.193 ± 0.003 Å
• c: 21.266 ± 0.003 Å
• α: 90°
• β: 94.996 ± 0.005°
• γ: 90°
• Cell volume: 3049.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1641
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.2281
• Weighted residual factors for all reflections included in the refinement: 0.2877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No