Information card for entry 7021111

Structure parameters

• Formula: C7 H5 Cl3 O3 W
• Calculated formula: C7 H5 Cl3 O3 W
• SMILES: C1c2c(cccc2)O[W](Cl)(Cl)(Cl)(=O)[O]=1
• 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: 25.582 ± 0.007 Å
• b: 10.818 ± 0.003 Å
• c: 18.629 ± 0.005 Å
• α: 90°
• β: 123.914 ± 0.003°
• γ: 90°
• Cell volume: 4278 ± 2 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: 0.0646
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No