Information card for entry 7029877

Structure parameters

• Common name: (trop)2W(CO)3
• Formula: C17 H10 O7 W
• Calculated formula: C17 H10 O7 W
• SMILES: [W]12(OC3=CC=CC=CC3=[O]1)([O]=C1C=CC=CC=C1O2)(C#[O])(C#[O])C#[O]
• 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: 7.0951 ± 0.0008 Å
• b: 7.2149 ± 0.0008 Å
• c: 15.5637 ± 0.0018 Å
• α: 83.208 ± 0.002°
• β: 79.978 ± 0.002°
• γ: 87.293 ± 0.002°
• Cell volume: 778.76 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No