Information card for entry 4316894

Structure parameters

• Common name: Cp2W(dmit), BF4
• Formula: C13 H10 B F4 S5 W
• Calculated formula: C13 H10 B F4 S5 W
• Title of publication: Structural Distortions upon Oxidation in Heteroleptic [Cp2W(dmit)] Tungsten Dithiolene Complex: Combined Structural, Spectroscopic, and Magnetic Studies
• Authors of publication: Eric W. Reinheimer; Iwona Olejniczak; Andrzej Łapiński; Roman Świetlik; Olivier Jeannin; Marc Fourmigué
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9777 - 9787
• a: 6.563 ± 0.002 Å
• b: 15.309 ± 0.003 Å
• c: 17.15 ± 0.004 Å
• α: 90°
• β: 92.2 ± 0.03°
• γ: 90°
• Cell volume: 1721.8 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No