Information card for entry 7048726

Structure parameters

• Formula: C13 H34 B10 N2
• Calculated formula: C13 H34 B10 N2
• Title of publication: Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes.
• Authors of publication: Pang, Ronglin; Li, Junxia; Cui, Zhongzheng; Zheng, Cheng; Li, Zhifang; Chen, Weifeng; Qi, Fan; Su, Li; Xiao, Xu-Qiong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7242 - 7248
• a: 8.829 ± 0.005 Å
• b: 11.088 ± 0.005 Å
• c: 12.66 ± 0.006 Å
• α: 107.034 ± 0.009°
• β: 98.56 ± 0.009°
• γ: 109.841 ± 0.006°
• Cell volume: 1071.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No