Information card for entry 4319151

Structure parameters

• Common name: Cp2W(dmit)AsF6
• Chemical name: Bis(cyclopentadienyl)(1,3-dithiole-2-thione-4,5-dithiolato)tungsten(V) hexafluoroarsenate
• Formula: C13 H10 As F6 S5 W
• Calculated formula: C13 H10 As F6 S5 W
• Title of publication: A Density Functional Study of the Highly Adaptable Molecular Structure of Mo(V) and W(V) Dithiolene Complexes: From Three-Dimensional Antiferromagnet to Spin Ladder
• Authors of publication: Benoît Domercq; Claude Coulon; Marc Fourmigué
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 371 - 378
• a: 9.0293 ± 0.0018 Å
• b: 20.568 ± 0.004 Å
• c: 10.264 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1906.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No