Information card for entry 1575577
| Formula |
C92 H144 Ba2 N4 |
| Calculated formula |
C92 H144 Ba2 N4 |
| Title of publication |
Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba. |
| Authors of publication |
Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd |
| Journal of publication |
Chemical science |
| Year of publication |
2025 |
| Journal volume |
16 |
| Journal issue |
38 |
| Pages of publication |
17793 - 17802 |
| a |
15.84065 ± 0.00018 Å |
| b |
23.0138 ± 0.0003 Å |
| c |
30.6235 ± 0.0003 Å |
| α |
108.831 ± 0.001° |
| β |
94.108 ± 0.0009° |
| γ |
109.852 ± 0.0011° |
| Cell volume |
9730.3 ± 0.2 Å3 |
| Cell temperature |
99.97 ± 0.11 K |
| Ambient diffraction temperature |
99.97 ± 0.11 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0419 |
| Residual factor for significantly intense reflections |
0.0372 |
| Weighted residual factors for significantly intense reflections |
0.0908 |
| Weighted residual factors for all reflections included in the refinement |
0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.006 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1575577.html
