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Information card for entry 4081645
Preview
Coordinates | 4081645.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H33 Cu2 F12 N11 P2 |
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Calculated formula | C44 H33 Cu2 F12 N11 P2 |
SMILES | [Cu]1234[Cu]5([n]6c(N7C=3N(C=N7)Cc3ccccc3)ccc3c6c6[n]5cccc6cc3)(=C3N(c5[n]1c1c6[n]2cccc6ccc1cc5)N=CN3Cc1ccccc1)[N]4#CC.[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 | 11.8783 ± 0.0013 Å |
b | 12.5234 ± 0.0016 Å |
c | 18.5523 ± 0.0014 Å |
α | 105.584 ± 0.009° |
β | 92.839 ± 0.007° |
γ | 118.04 ± 0.012° |
Cell volume | 2295.6 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1355 |
Residual factor for significantly intense reflections | 0.0972 |
Weighted residual factors for significantly intense reflections | 0.3029 |
Weighted residual factors for all reflections included in the refinement | 0.3315 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081645.html
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