Information card for entry 7045870
| Formula |
C81 H108 Al2 Cl4 N12 Ni5 O37 |
| Calculated formula |
C72 H72 Al1.9998 Cl4 N12 Ni5.0002 O28 |
| Title of publication |
Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn) |
| Authors of publication |
Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K. |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2018 |
| a |
14.5316 ± 0.0001 Å |
| b |
14.5316 ± 0.0001 Å |
| c |
37.926 ± 0.0009 Å |
| α |
90° |
| β |
90° |
| γ |
120° |
| Cell volume |
6935.77 ± 0.18 Å3 |
| Cell temperature |
120 K |
| Ambient diffraction temperature |
120 K |
| Number of distinct elements |
7 |
| Space group number |
148 |
| Hermann-Mauguin space group symbol |
R -3 |
| Hall space group symbol |
-R 3 |
| Residual factor for all reflections |
0.0838 |
| Residual factor for significantly intense reflections |
0.0818 |
| Weighted residual factors for significantly intense reflections |
0.2373 |
| Weighted residual factors for all reflections included in the refinement |
0.2395 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.134 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7045870.html
