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Information card for entry 4339816
Preview
Coordinates | 4339816.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H39 F12 N5 Ni O2 P2 |
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Calculated formula | C30 H39 F12 N5 Ni O2 P2 |
SMILES | [Ni]12([O]=C(C=[N]1C(C)(C)C)c1ccccc1)([O]=C(C=[N]2C(C)(C)C)c1ccccc1)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C |
Title of publication | The monoanionic pi-radical redox state of alpha-iminoketones in bis(ligand)metal complexes of nickel and cobalt. |
Authors of publication | Lu, Connie C.; Bill, Eckhard; Weyhermüller, Thomas; Bothe, Eberhard; Wieghardt, Karl |
Journal of publication | Inorganic chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Journal issue | 19 |
Pages of publication | 7880 - 7889 |
a | 11.237 ± 0.003 Å |
b | 15.009 ± 0.004 Å |
c | 22.035 ± 0.006 Å |
α | 90° |
β | 90.186 ± 0.005° |
γ | 90° |
Cell volume | 3716.3 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.038 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.083 |
Weighted residual factors for all reflections included in the refinement | 0.0852 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
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/4339816.html
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