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Information card for entry 7120802
Preview
Coordinates | 7120802.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | complex 2 |
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Formula | C47 H62 F3 N3 O5 S W |
Calculated formula | C47 H62 F3 N3 O5 S W |
SMILES | [W]1(OCC[O]1C)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=Nc1c(cccc1C(C)C)C(C)C)=CC(C)(C)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | N-Heterocyclic Carbene-Induced Transmethylation in Tungsten Imido Alkylidene Bistriflates: Unexpected Formation of an N-Heterocyclic Olefin Complex |
Authors of publication | Imbrich, Dominik; Frey, Wolfgang; Buchmeiser, Michael R. |
Journal of publication | Chem. Commun. |
Year of publication | 2017 |
a | 16.2173 ± 0.0008 Å |
b | 17.5402 ± 0.0009 Å |
c | 17.1966 ± 0.0009 Å |
α | 90° |
β | 109.557 ± 0.002° |
γ | 90° |
Cell volume | 4609.4 ± 0.4 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0631 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1046 |
Weighted residual factors for all reflections included in the refinement | 0.1112 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/7120802.html
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