Information card for entry 4310387

Structure parameters

• Formula: C28 H40 Cl3 O4 Ta
• Calculated formula: C28 H40 Cl3 O4 Ta
• Title of publication: A New Route to Chelating Bis(aryloxide) Ligands and Their Applications to Tantalum and Titanium Organometallic Compounds
• Authors of publication: Jeffrey W. Anthis; Igor Filippov; David E. Wigley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 716 - 724
• a: 10.5486 ± 0.0009 Å
• b: 17.1174 ± 0.0014 Å
• c: 16.9328 ± 0.0015 Å
• α: 90°
• β: 96.215 ± 0.004°
• γ: 90°
• Cell volume: 3039.5 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No