Information card for entry 1549123
| Formula |
C62 H34 F12 Fe N6 P2 |
| Calculated formula |
C62 H34 F12 Fe N6 P2 |
| SMILES |
[Fe]12345[n]6c7cccc6c6[n]1ccc(c6)c1ccccc1C#CC#Cc1ccccc1c1cc[n]2c(c1)c1[n]3c(ccc1)c1[n]4ccc(c1)c1ccccc1C#CC#Cc1ccccc1c1cc[n]5c7c1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication |
Chiral macrocyclic terpyridine complexes. |
| Authors of publication |
Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel |
| Journal of publication |
Chemical science |
| Year of publication |
2018 |
| Journal volume |
9 |
| Journal issue |
15 |
| Pages of publication |
3837 - 3843 |
| a |
27.5449 ± 0.0003 Å |
| b |
55.4159 ± 0.0008 Å |
| c |
10.2412 ± 0.0015 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
15632 ± 2 Å3 |
| Cell temperature |
193 K |
| Ambient diffraction temperature |
193 K |
| Number of distinct elements |
6 |
| Space group number |
43 |
| Hermann-Mauguin space group symbol |
F d d 2 |
| Hall space group symbol |
F 2 -2d |
| Residual factor for all reflections |
0.0399 |
| Residual factor for significantly intense reflections |
0.0366 |
| Weighted residual factors for all reflections |
0.0455 |
| Weighted residual factors for significantly intense reflections |
0.0428 |
| Weighted residual factors for all reflections included in the refinement |
0.0419 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0494 |
| Diffraction radiation wavelength |
1.34143 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1549123.html
