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Information card for entry 4340500
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Coordinates | 4340500.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 00344 |
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Formula | C26 H40 Cl2 Cu2 F12 N6 P2 |
Calculated formula | C26 H40 Cl2 Cu2 F12 N6 P2 |
SMILES | [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[Cu]123([Cl][Cu]45([Cl]1)[N]1(C)CCC[N]4(CCC1)Cc1[n]5cccc1)[N]1(C)CCC[N]2(CCC1)Cc1[n]3cccc1 |
Title of publication | Enhanced Reactivity of Copper Catalysts for Olefin Aziridination by Manipulation of Ligand Denticity |
Authors of publication | Halfen, Jason A.; Fox, Derek C.; Mehn, Mark P.; Que, Lawrence |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Journal issue | 20 |
Pages of publication | 5060 |
a | 22.017 ± 0.004 Å |
b | 7.356 ± 0.001 Å |
c | 23.263 ± 0.004 Å |
α | 90° |
β | 114.744 ± 0.003° |
γ | 90° |
Cell volume | 3421.7 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0991 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.1073 |
Weighted residual factors for all reflections included in the refinement | 0.1217 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
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/4340500.html
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