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Information card for entry 4300209
Preview
Coordinates | 4300209.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H55 N O S4 Se W |
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Calculated formula | C32 H55 N O S4 Se W |
SMILES | [W]12([Se]c3c(cc(cc3C(C)C)C(C)C)C(C)C)(SC(=C(S1)C)C)(C#[O])SC(=C(S2)C)C.[N+](CC)(CC)(CC)CC |
Title of publication | Synthesis and Structures of Bis(dithiolene)-Tungsten(IV) Complexes Related to the Active Sites of Tungstoenzymes |
Authors of publication | Kie-Moon Sung; R. H. Holm |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 1275 - 1281 |
a | 25.5714 ± 0.0007 Å |
b | 16.8328 ± 0.0004 Å |
c | 17.2163 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7410.6 ± 0.3 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 7 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0788 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/4300209.html
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Users of the data should acknowledge the original authors of the
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