Information card for entry 7040579

Structure parameters

• Formula: C10 H24 Cl2 N4 O4 W
• Calculated formula: C10 H24 Cl2 N4 O4 W
• SMILES: [W](Cl)(Cl)(=O)(=O)([O]=C(N(C)C)N(C)C)[O]=C(N(C)C)N(C)C
• 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: 14.211 ± 0.003 Å
• b: 22.418 ± 0.005 Å
• c: 18.094 ± 0.004 Å
• α: 90°
• β: 113.063 ± 0.003°
• γ: 90°
• Cell volume: 5304 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No