Information card for entry 1566778
| Formula |
C58 H73 Li6 Ni2 O4 |
| Calculated formula |
C58 H73 Li6 Ni2 O4 |
| Title of publication |
Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand |
| Authors of publication |
Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M. |
| Journal of publication |
Chemical Science |
| Year of publication |
2022 |
| a |
13.176 ± 0.0012 Å |
| b |
14.1453 ± 0.0012 Å |
| c |
15.9321 ± 0.0015 Å |
| α |
101.573 ± 0.003° |
| β |
103.502 ± 0.004° |
| γ |
101.439 ± 0.003° |
| Cell volume |
2733.3 ± 0.4 Å3 |
| Cell temperature |
193 K |
| Ambient diffraction temperature |
193 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 |
0.1336 |
| Residual factor for significantly intense reflections |
0.0624 |
| Weighted residual factors for significantly intense reflections |
0.1437 |
| Weighted residual factors for all reflections included in the refinement |
0.1806 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.003 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1566778.html
