Information card for entry 1516785
| Formula |
C31 H19 N3 O2 |
| Calculated formula |
C31 H19 N3 O2 |
| SMILES |
o1c(cc2cc(ncc12)c1nc(ccc1)c1ncc2oc(cc2c1)c1ccccc1)c1ccccc1 |
| Title of publication |
Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks |
| Authors of publication |
Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. |
| Journal of publication |
Chem. Sci. |
| Year of publication |
2014 |
| Journal volume |
5 |
| Journal issue |
11 |
| Pages of publication |
4317 |
| a |
30.3556 ± 0.0006 Å |
| b |
5.611 ± 0.0001 Å |
| c |
13.1495 ± 0.0002 Å |
| α |
90° |
| β |
92.9605 ± 0.0012° |
| γ |
90° |
| Cell volume |
2236.7 ± 0.07 Å3 |
| Cell temperature |
160 ± 1 K |
| Ambient diffraction temperature |
160 ± 1 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.1069 |
| Residual factor for significantly intense reflections |
0.0493 |
| Weighted residual factors for significantly intense reflections |
0.0975 |
| Weighted residual factors for all reflections included in the refinement |
0.1193 |
| 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/1516785.html
