Information card for entry 7028188

Structure parameters

• Common name: [(η^5^C~5~H~4~CMe~3~)~2~W(C~3~S~5~)][tcnqf~4~], CH~3~CN
• Chemical name: Bis (η^5^-tert-butylcyclopentadienyl)(4,5-disulfanyl-1,3-dithiole-2- thionato) tungsten (V) tetrafluoro-7,7,8,8-tetracyanoquinodimethane salt, acetonitrile solvate
• Formula: C35 H29 F4 N5 S5 W
• Calculated formula: C35 H29 F4 N5 S5 W
• 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: 7.956 ± 0.0013 Å
• b: 21.02 ± 0.003 Å
• c: 21.722 ± 0.004 Å
• α: 90°
• β: 96.39 ± 0.014°
• γ: 90°
• Cell volume: 3610.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for all reflections: 0.842
• Goodness-of-fit parameter for significantly intense reflections: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No