Information card for entry 7247205
| Formula |
C12 H6 O2 |
| Calculated formula |
C12 H7 O2 |
| Title of publication |
Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes |
| Authors of publication |
Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius |
| Journal of publication |
CrystEngComm |
| Year of publication |
2023 |
| Journal volume |
25 |
| Journal issue |
37 |
| Pages of publication |
5243 - 5261 |
| a |
18.4305 ± 0.0012 Å |
| b |
3.7948 ± 0.0002 Å |
| c |
25.3173 ± 0.0015 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1770.69 ± 0.18 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
29 |
| Hermann-Mauguin space group symbol |
P c a 21 |
| Hall space group symbol |
P 2c -2ac |
| Residual factor for all reflections |
0.1136 |
| Residual factor for significantly intense reflections |
0.1031 |
| Weighted residual factors for significantly intense reflections |
0.2383 |
| Weighted residual factors for all reflections included in the refinement |
0.2563 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.103 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7247205.html
