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Information card for entry 4081637
Preview
Coordinates | 4081637.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H42 Cu2 F12 N10 P2 |
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Calculated formula | C42 H42 Cu2 F12 N10 P2 |
SMILES | C(#N)C.N#CC.[Cu]123[Cu]4([n]5c(N6C=3N(C=C6)C(C)(C)C)ccc3c5c5[n]4cccc5cc3)=C3N(c4[n]2c2c(ccc5ccc[n]1c25)cc4)C=CN3C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands |
Authors of publication | Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 19 |
Pages of publication | 5451 |
a | 15.0889 ± 0.0004 Å |
b | 15.2534 ± 0.0003 Å |
c | 20.5155 ± 0.0005 Å |
α | 90° |
β | 91.02 ± 0.002° |
γ | 90° |
Cell volume | 4721.04 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1054 |
Residual factor for significantly intense reflections | 0.0853 |
Weighted residual factors for significantly intense reflections | 0.225 |
Weighted residual factors for all reflections included in the refinement | 0.2514 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4081637.html
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Users of the data should acknowledge the original authors of the
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