Information card for entry 7029878

Structure parameters

• Common name: (trop)2W(CO)(PhCCMe)
• Formula: C48.5 H37 Cl O10 W2
• Calculated formula: C48.5 H37 Cl O10 W2
• Title of publication: Bis-tropolonate complexes of tungsten: scaffolds for selective side-on binding of nitriles, imines and ketones.
• Authors of publication: Becica, Joseph; Jackson, Andrew B.; Dougherty, William G.; Kassel, W. Scott; West, Nathan M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8738 - 8748
• a: 10.6825 ± 0.0006 Å
• b: 24.7828 ± 0.0012 Å
• c: 15.8496 ± 0.0009 Å
• α: 90°
• β: 99.116 ± 0.002°
• γ: 90°
• Cell volume: 4143.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No