Information card for entry 7049675
Formula |
C28 H39 Cl5 F6 N3 P |
Calculated formula |
C28 H39 Cl5 F6 N3 P |
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 |
10.7176 ± 0.0013 Å |
b |
12.6851 ± 0.0016 Å |
c |
13.3846 ± 0.0016 Å |
α |
92.078 ± 0.004° |
β |
102.237 ± 0.004° |
γ |
90.99 ± 0.004° |
Cell volume |
1776.6 ± 0.4 Å3 |
Cell temperature |
200 ± 2 K |
Ambient diffraction temperature |
200 K |
Number of distinct elements |
6 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.1445 |
Residual factor for significantly intense reflections |
0.0771 |
Weighted residual factors for significantly intense reflections |
0.1883 |
Weighted residual factors for all reflections included in the refinement |
0.2276 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
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/7049675.html