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Information card for entry 4064302
Preview
Coordinates | 4064302.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H22 Cu F6 N4 P |
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Calculated formula | C18 H22 Cu F6 N4 P |
SMILES | [Cu]1=C2N(C=CN2C)Cc2c(cc(c(c2)CN2C=1N(C=C2)C)C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Do Short C‒H‒M (M = Cu(I), Ag(I)) Distances Represent Agostic Interactions in Pincer-Type Complexes? Unusual NHC Transmetalation from Cu(I) to Ag(I) |
Authors of publication | Liu, Xianghao; Pattacini, Roberto; Deglmann, Peter; Braunstein, Pierre |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 12 |
Pages of publication | 3302 |
a | 8.553 ± 0.002 Å |
b | 11.092 ± 0.003 Å |
c | 11.628 ± 0.003 Å |
α | 69.9 ± 0.01° |
β | 81.25 ± 0.02° |
γ | 79.82 ± 0.02° |
Cell volume | 1014.7 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0902 |
Residual factor for significantly intense reflections | 0.0579 |
Weighted residual factors for significantly intense reflections | 0.1499 |
Weighted residual factors for all reflections included in the refinement | 0.1653 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation probe | x-ray |
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/4064302.html
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