Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072029
Preview
Coordinates | 4072029.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H Ag B F21 N6 O |
---|---|
Calculated formula | C25 H Ag B F21 N6 O |
SMILES | C(#[O])[Ag]12[n]3c(C(F)(F)F)c4c(c(c(c(c4F)F)F)F)n3[BH](n3c4c(c(C(F)(F)F)[n]13)c(c(c(c4F)F)F)F)n1c3c(c(C(F)(F)F)[n]21)c(c(c(c3F)F)F)F |
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 | 9.311 ± 0.0006 Å |
b | 11.5542 ± 0.0009 Å |
c | 27.9217 ± 0.0019 Å |
α | 90° |
β | 94.789 ± 0.006° |
γ | 90° |
Cell volume | 2993.4 ± 0.4 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0458 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4072029.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.