Information card for entry 7033299
| Formula |
C35 H25 N7 S3 Zn |
| Calculated formula |
C35 H25 N7 S3 Zn |
| SMILES |
c1ccccc1N(c1ccccc1)c1ccc(c2cc3c4cccc[n]4[Zn]4([n]3c(c2)c2cccc[n]42)(N=C=S)N=C=S)s1.CC#N |
| Title of publication |
Thiophene-based terpyridine and its zinc halide complexes: third-order nonlinear optical properties in the near-infrared region. |
| Authors of publication |
Tan, Jingyun; Li, Rui; Li, Dandan; Zhang, Qiong; Li, Shengli; Zhou, Hongping; Yang, Jiaxiang; Wu, Jieying; Tian, Yupeng |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2015 |
| Journal volume |
44 |
| Journal issue |
3 |
| Pages of publication |
1473 - 1482 |
| a |
11.489 ± 0.005 Å |
| b |
12.26 ± 0.005 Å |
| c |
12.884 ± 0.005 Å |
| α |
86.754 ± 0.005° |
| β |
66.599 ± 0.005° |
| γ |
84.488 ± 0.005° |
| Cell volume |
1657.5 ± 1.2 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.054 |
| Residual factor for significantly intense reflections |
0.0382 |
| Weighted residual factors for significantly intense reflections |
0.1096 |
| Weighted residual factors for all reflections included in the refinement |
0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.993 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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