Information card for entry 7048726
| 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 Å3 |
| 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 |
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