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Information card for entry 4066509
Preview
Coordinates | 4066509.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H44 Ag4 I4 N4 S2 |
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Calculated formula | C32 H44 Ag4 I4 N4 S2 |
SMILES | C12N(CC[S]([Ag]34[I]5[Ag]2[I][Ag]=25[I]4[Ag](=C4N(C=CN4c4c(cc(cc4C)C)C)CC[S]2CC)[I]3)CC)C=CN1c1c(cc(cc1C)C)C |
Title of publication | Thioether-Functionalized N-Heterocyclic Carbenes: Mono- and Bis-(S,CNHC) Palladium Complexes, Catalytic C−C Coupling, and Characterization of a Unique Ag4I4(S,CNHC)2Planar Cluster† |
Authors of publication | Fliedel, Christophe; Braunstein, Pierre |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 21 |
Pages of publication | 5614 |
a | 9.535 ± 0.007 Å |
b | 9.86 ± 0.005 Å |
c | 11.87 ± 0.008 Å |
α | 91.4 ± 0.03° |
β | 104.55 ± 0.03° |
γ | 95.9 ± 0.04° |
Cell volume | 1073 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0757 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation probe | x-ray |
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/4066509.html
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