Information card for entry 4132412
| Formula |
C94 H81 B8 F32 N35 Zn4 |
| Calculated formula |
C94 H81 B8 F32 N35 Zn4 |
| Title of publication |
Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2× 2] Iron(II) Grid-Type Complex. |
| Authors of publication |
Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2018 |
| Journal volume |
140 |
| Journal issue |
26 |
| Pages of publication |
8218 - 8227 |
| a |
19.5838 ± 0.0005 Å |
| b |
35.646 ± 0.001 Å |
| c |
18.5501 ± 0.0005 Å |
| α |
90° |
| β |
110.798 ± 0.002° |
| γ |
90° |
| Cell volume |
12105.7 ± 0.6 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.1458 |
| Residual factor for significantly intense reflections |
0.1211 |
| Weighted residual factors for significantly intense reflections |
0.2573 |
| Weighted residual factors for all reflections included in the refinement |
0.2674 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.045 |
| 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/4132412.html
