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Information card for entry 4065482
Preview
Coordinates | 4065482.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [WO2Cl2(Idipp)] toluene solvate |
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Formula | C34 H44 Cl2 N2 O2 W |
Calculated formula | C34 H44 Cl2 N2 O2 W |
SMILES | C(C)(C)c1c(c(C(C)C)ccc1)N1C(N(C=C1)c1c(C(C)C)cccc1C(C)C)=[W](Cl)(Cl)(=O)=O.Cc1ccccc1 |
Title of publication | Tungsten(VI) N-Heterocyclic Carbene Complexes: Synthetic, Structural, and Computational Study |
Authors of publication | Dodds, Christopher A.; Spicer, Mark D.; Tuttle, Tell |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 22 |
Pages of publication | 6262 |
a | 10.4185 ± 0.0002 Å |
b | 21.8042 ± 0.0006 Å |
c | 15.8247 ± 0.0004 Å |
α | 90° |
β | 106.975 ± 0.002° |
γ | 90° |
Cell volume | 3438.23 ± 0.15 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0883 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.0609 |
Weighted residual factors for all reflections included in the refinement | 0.0703 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/4065482.html
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