Information card for entry 7135818
| Formula |
C81 H130 K3 N4 O10 |
| Calculated formula |
C81 H130 K3 N4 O10 |
| Title of publication |
N-Heterocyclic Olefin-Based Dianionic [OArCH2NHOArO]2- and Neutral [MeOArCH2NHOArOMe] O,C,O’-Pincer Ligands. |
| Authors of publication |
Goswami, Santu; Sarkar, Subham; Chakraborty, Akash; Mandal, Chhotan; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata |
| Journal of publication |
Chemical Communications |
| Year of publication |
2026 |
| a |
13.4375 ± 0.0003 Å |
| b |
16.7453 ± 0.0004 Å |
| c |
19.3647 ± 0.0005 Å |
| α |
92.178 ± 0.002° |
| β |
105.282 ± 0.002° |
| γ |
95.822 ± 0.002° |
| Cell volume |
4172.07 ± 0.18 Å3 |
| Cell temperature |
105 ± 7 K |
| Ambient diffraction temperature |
105 ± 7 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 |
0.1136 |
| Residual factor for significantly intense reflections |
0.0944 |
| Weighted residual factors for significantly intense reflections |
0.2739 |
| Weighted residual factors for all reflections included in the refinement |
0.2989 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.083 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7135818.html
