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Information card for entry 4081642
Preview
Coordinates | 4081642.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H55 Cu2 F12 N9 P2 |
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Calculated formula | C56 H55 Cu2 F12 N9 P2 |
SMILES | [Cu]12[Cu]34([n]5c6c(ccc5N5C=1N(c1c(cccc1C(C)C)C(C)C)C=C5)ccc1c6[n]4ccc1)[n]1cccc4c1c1[n]3c(ccc1cc4)N1C=2N(c2c(C(C)C)cccc2C(C)C)C=C1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C |
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 | 12.5977 ± 0.0004 Å |
b | 15.5407 ± 0.0006 Å |
c | 16.44 ± 0.0006 Å |
α | 82.213 ± 0.003° |
β | 76.549 ± 0.003° |
γ | 68.976 ± 0.003° |
Cell volume | 2917.1 ± 0.19 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 | 0.0917 |
Residual factor for significantly intense reflections | 0.0626 |
Weighted residual factors for significantly intense reflections | 0.1709 |
Weighted residual factors for all reflections included in the refinement | 0.1958 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/4081642.html
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Users of the data should acknowledge the original authors of the
structural data.