Information card for entry 7021117

Structure parameters

• Formula: C3 H7 Cl4 N O2 W
• Calculated formula: C3 H7 Cl4 N O2 W
• SMILES: C(N(C)C)=[O][W](Cl)(Cl)(Cl)(Cl)=O
• Title of publication: A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.
• Authors of publication: Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5635 - 5648
• a: 6.3608 ± 0.0004 Å
• b: 9.9793 ± 0.0007 Å
• c: 16.0433 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1018.37 ± 0.12 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: 0.0174
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No