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Information card for entry 4301583
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Coordinates | 4301583.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Dicarbonylbis(1,2-dimethylethene-1,2-dithiolato- κ^2^S,S')tungsten |
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Formula | C10 H12 O2 S4 W |
Calculated formula | C10 H12 O2 S4 W |
SMILES | [W]12(SC(=C(S1)C)C)(SC(=C(S2)C)C)(C#[O])C#[O] |
Title of publication | Synthesis, Structures, and Properties of Mixed Dithiolene-Carbonyl and Dithiolene-Phosphine Complexes of Tungsten |
Authors of publication | P. Chandrasekaran; Kuppuswamy Arumugam; Upul Jayarathne; Lisa M. Pérez; Joel T. Mague; James P. Donahue |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 2103 - 2113 |
a | 7.0364 ± 0.0003 Å |
b | 7.6373 ± 0.0003 Å |
c | 13.5606 ± 0.0006 Å |
α | 93.506 ± 0.001° |
β | 93.891 ± 0.001° |
γ | 95.516 ± 0.001° |
Cell volume | 722.01 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0197 |
Residual factor for significantly intense reflections | 0.0175 |
Weighted residual factors for significantly intense reflections | 0.0393 |
Weighted residual factors for all reflections included in the refinement | 0.0402 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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.
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