Information card for entry 7049684
| Formula |
C41 H54 Au Cl6 I2 N5 |
| Calculated formula |
C41 H54 Au Cl6 I2 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 |
12.814 ± 0.004 Å |
| b |
14.306 ± 0.004 Å |
| c |
13.997 ± 0.004 Å |
| α |
90° |
| β |
102.174 ± 0.008° |
| γ |
90° |
| Cell volume |
2508.2 ± 1.3 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
199.94 K |
| Number of distinct elements |
6 |
| Space group number |
11 |
| Hermann-Mauguin space group symbol |
P 1 21/m 1 |
| Hall space group symbol |
-P 2yb |
| Residual factor for all reflections |
0.0577 |
| Residual factor for significantly intense reflections |
0.0471 |
| Weighted residual factors for significantly intense reflections |
0.1145 |
| Weighted residual factors for all reflections included in the refinement |
0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.043 |
| 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/7049684.html
