Information card for entry 7049688
| Formula |
C39 H52 Au B F4 I N5 |
| Calculated formula |
C39 H52 Au B F4 I N5 |
| Title of publication |
4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding. |
| Authors of publication |
Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2019 |
| Journal volume |
48 |
| Journal issue |
20 |
| Pages of publication |
6931 - 6941 |
| a |
9.2835 ± 0.0009 Å |
| b |
9.7312 ± 0.001 Å |
| c |
12.3642 ± 0.0012 Å |
| α |
70.161 ± 0.003° |
| β |
87.658 ± 0.003° |
| γ |
83.006 ± 0.003° |
| Cell volume |
1042.87 ± 0.18 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
149.94 K |
| Number of distinct elements |
7 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.0243 |
| Residual factor for significantly intense reflections |
0.0243 |
| Weighted residual factors for significantly intense reflections |
0.0638 |
| Weighted residual factors for all reflections included in the refinement |
0.0638 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.07 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7049688.html
