Information card for entry 7021113

Structure parameters

• Formula: C3 H5 Cl4 O3 W
• Calculated formula: C3 H5 Cl4 O3 W
• SMILES: C1C(=[O][W](Cl)(Cl)(Cl)(Cl)O1)OC
• 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: 18.305 ± 0.004 Å
• b: 9.7756 ± 0.0019 Å
• c: 12.088 ± 0.002 Å
• α: 90°
• β: 120.147 ± 0.002°
• γ: 90°
• Cell volume: 1870.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No