Information card for entry 4320532

Structure parameters

• Chemical name: trans-dichloro(1,2-etanediolato)bis(2,6- diisopropylphenolato)tungsten(VI)
• Formula: C26 H38 Cl2 O4 W
• Calculated formula: C26 H38 Cl2 O4 W
• SMILES: [W]1(Cl)(Cl)(OCCO1)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C
• 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: 9.712 ± 0.002 Å
• b: 10.0849 ± 0.0014 Å
• c: 14.7712 ± 0.0016 Å
• α: 90°
• β: 90.437 ± 0.013°
• γ: 90°
• Cell volume: 1446.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No