Information card for entry 4072027
| Formula |
C26 H4 B Cu F21 N7 |
| Calculated formula |
C26 H4 B Cu F21 N7 |
| SMILES |
[Cu]12([n]3n(c4c(c3C(F)(F)F)c(F)c(F)c(F)c4F)[BH](n3[n]1c(c1c3c(F)c(F)c(F)c1F)C(F)(F)F)n1[n]2c(c2c1c(F)c(F)c(F)c2F)C(F)(F)F)[N]#CC |
| Title of publication |
A New Perfluorinated F21-Tp Scorpionate Ligand: Enhanced Alkane Functionalization by Carbene Insertion with (F21-Tp)M Catalysts (M = Cu, Ag) |
| Authors of publication |
Despagnet-Ayoub, Emmanuelle; Jacob, Kane; Vendier, Laure; Etienne, Michel; Álvarez, Eleuterio; Caballero, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J. |
| Journal of publication |
Organometallics |
| Year of publication |
2008 |
| Journal volume |
27 |
| Journal issue |
18 |
| Pages of publication |
4779 |
| a |
17.9262 ± 0.001 Å |
| b |
17.6733 ± 0.001 Å |
| c |
9.2157 ± 0.0006 Å |
| α |
90° |
| β |
95.485 ± 0.003° |
| γ |
90° |
| Cell volume |
2906.3 ± 0.3 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0351 |
| Residual factor for significantly intense reflections |
0.0273 |
| Weighted residual factors for significantly intense reflections |
0.0615 |
| Weighted residual factors for all reflections included in the refinement |
0.0647 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.002 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4072027.html
