Information card for entry 4318376

Structure parameters

• Formula: C18 H24 Cl2 N2 O2 W
• Calculated formula: C18 H24 Cl2 N2 O2 W
• SMILES: [W]1(Cl)(Cl)(=O)(=O)[n]2c(cc(cc2)C(C)(C)C)c2[n]1ccc(c2)C(C)(C)C
• Title of publication: Synthesis and Catalytic Application of Octahedral Lewis Base Adducts of Dichloro and Dialkyl Dioxotungsten(VI)
• Authors of publication: Fritz E. Kühn; Wen-Mei Xue; Ahmad Al-Ajlouni; Ana M. Santos; Shuliang Zang; Carlos C. Romão; Georg Eickerling; Eberhardt Herdtweck
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4468 - 4477
• a: 8.3198 ± 0.0001 Å
• b: 13.3224 ± 0.0002 Å
• c: 18.0415 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1999.71 ± 0.04 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No