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Information card for entry 4072028
Preview
Coordinates | 4072028.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H B Cu F21 N6 O |
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Calculated formula | C25 H B Cu F21 N6 O |
SMILES | C(#[O])[Cu]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 | 9.415 ± 0.0006 Å |
b | 11.6353 ± 0.0008 Å |
c | 28.0159 ± 0.0016 Å |
α | 90° |
β | 94 ± 0.003° |
γ | 90° |
Cell volume | 3061.6 ± 0.3 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 | 0.0743 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for significantly intense reflections | 0.1067 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/4072028.html
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structural data.