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Information card for entry 4081644
Preview
Coordinates | 4081644.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H26 Cu2 F12 N10 P2 |
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Calculated formula | C34 H26 Cu2 F12 N10 P2 |
SMILES | c1[n]2c3c(cc1)ccc1c3[n]3c(N4N=CN(C4=[Cu]45[Cu]23=C2N(N=CN2CC=C)c2[n]5c3c5c(ccc[n]45)ccc3cc2)CC=C)cc1.[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 | 17.8295 ± 0.0018 Å |
b | 14.9484 ± 0.001 Å |
c | 15.3304 ± 0.0013 Å |
α | 90° |
β | 108.669 ± 0.01° |
γ | 90° |
Cell volume | 3870.9 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.098 |
Residual factor for significantly intense reflections | 0.0766 |
Weighted residual factors for significantly intense reflections | 0.2151 |
Weighted residual factors for all reflections included in the refinement | 0.2356 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/4081644.html
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Users of the data should acknowledge the original authors of the
structural data.