Information card for entry 4320528

Structure parameters

• Chemical name: trans-dichloro(1,2-etanediolato)bis(2,4- di-t-butylphenolato)tungsten(VI)
• Formula: C30 H46 Cl2 O4 W
• Calculated formula: C30 H46 Cl2 O4 W
• Title of publication: On the Reactions of Bisdiolatotungsten(VI) Phenoxides. Syntheses, Characterizations, and Molecular Structures of trans-[WCl2(Diol)(OAr)2]
• Authors of publication: Ari Lehtonen; Reijo Sillanpää
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6047 - 6051
• a: 22.506 ± 0.003 Å
• b: 27.7 ± 0.006 Å
• c: 10.729 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6689 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2005
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No