Information card for entry 7041544

Structure parameters

• Formula: C8 H15 B10 Cl N2
• Calculated formula: C8 H15 B10 Cl N2
• SMILES: Clc1ccc(N=N[C]2345[CH]678[BH]9%102[BH]2%113[BH]3%124[BH]456[BH]567[BH]789[BH]8%102[BH]2%113[BH]%1245[BH]6782)cc1
• Title of publication: Efficient synthesis of carborane azo derivatives and their reactivity.
• Authors of publication: Gao, Yang; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1585 - 1592
• a: 7.106 ± 0.003 Å
• b: 20.835 ± 0.009 Å
• c: 10.726 ± 0.005 Å
• α: 90°
• β: 96.19 ± 0.008°
• γ: 90°
• Cell volume: 1578.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0977
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No