Information card for entry 7040578

Structure parameters

• Formula: C16 H38 Cl8 N6 O9 W3
• Calculated formula: C16 H38 Cl8 N6 O9 W3
• SMILES: C(N(C)C)(N(C)C)=[O][W]1(Cl)(Cl)(O[W](Cl)(Cl)(O[W](Cl)(Cl)(O1)(=O)[O]=C(N(C)C)N(C)C)(=O)[O]=C(N(C)C)N(C)C)=O.C(Cl)Cl
• Title of publication: Synthesis of a highly reactive form of WO2Cl2, its conversion into nanocrystalline mono-hydrated WO3 and coordination compounds with tetramethylurea.
• Authors of publication: Bortoluzzi, Marco; Evangelisti, Claudio; Marchetti, Fabio; Pampaloni, Guido; Piccinelli, Fabio; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15342
• a: 11.249 ± 0.002 Å
• b: 11.476 ± 0.002 Å
• c: 28.3 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3653.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0406
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No