Information card for entry 7021115

Structure parameters

• Formula: C16 H17 Cl6 N2 O W
• Calculated formula: C16 H17 Cl6 N2 O W
• SMILES: [W](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].CC(=O)N(C(C)=[NH+]c1ccccc1)c1ccccc1
• 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: 14.39 ± 0.01 Å
• b: 9.985 ± 0.007 Å
• c: 16.622 ± 0.011 Å
• α: 90°
• β: 110.196 ± 0.009°
• γ: 90°
• Cell volume: 2241 ± 3 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: 0.1739
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No