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Information card for entry 7028189
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Coordinates | 7028189.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(η^5^-C~5~H~5~)~2~W(dddt)][tcnq] |
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Chemical name | Bis (η^5^-cyclopentadienyl)(5,6-dihydro-1,4-dithiine-2,3-dithiolato) tungsten (V) tetracyanoquinodimethane salt |
Formula | C26 H18 N4 S4 W |
Calculated formula | C26 H18 N4 S4 W |
SMILES | [W]123456789(SC%10SCCSC=%10S1)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91.C1C(=C(C#N)C#N)C=CC(=C(C#N)C#N)C=1 |
Title of publication | Syntheses and electrochemical characterization of heteroleptic cyclopentadienyl‒dithiolene d2 tungsten complexes. Structures and magnetic properties of charge-transfer salts † |
Authors of publication | Jourdain, Isabelle V.; Fourmigué, Marc; Guyon, Fabrice; Amaudrut, Jacques |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 3 |
Pages of publication | 483 |
a | 9.509 ± 0.0014 Å |
b | 10.54 ± 0.0014 Å |
c | 12.385 ± 0.002 Å |
α | 84.31 ± 0.014° |
β | 81.45 ± 0.015° |
γ | 89.32 ± 0.015° |
Cell volume | 1221.4 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0366 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for all reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.0503 |
Goodness-of-fit parameter for all reflections | 0.97 |
Goodness-of-fit parameter for significantly intense reflections | 0.965 |
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/7028189.html
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Users of the data should acknowledge the original authors of the
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