Information card for entry 7048724

Structure parameters

• Formula: C18 H26 B10 N2
• Calculated formula: C18 H26 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: 7.4532 ± 0.0017 Å
• b: 13.427 ± 0.003 Å
• c: 22.271 ± 0.005 Å
• α: 90°
• β: 92.261 ± 0.006°
• γ: 90°
• Cell volume: 2227 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0962
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No