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Information card for entry 4079366
Preview
Coordinates | 4079366.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | in manuscript 10a |
---|---|
Formula | C32 H52 Cl4 Cu2 F12 N8 P2 |
Calculated formula | C32 H52 Cl4 Cu2 F12 N8 P2 |
SMILES | [Cu]12[Cu](=C3N(CN4C=1N(C=C4)C(C)(C)C)C=CN3C(C)(C)C)=C1N(CN3C=2N(C=C3)C(C)(C)C)C=CN1C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl |
Title of publication | Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC) |
Authors of publication | Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 22 |
Pages of publication | 8000 |
a | 11.6179 ± 0.0007 Å |
b | 12.9619 ± 0.0008 Å |
c | 16.0697 ± 0.001 Å |
α | 80.063 ± 0.001° |
β | 84.338 ± 0.001° |
γ | 73.271 ± 0.001° |
Cell volume | 2279.7 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0533 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0782 |
Weighted residual factors for all reflections included in the refinement | 0.0848 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/4079366.html
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Users of the data should acknowledge the original authors of the
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