Information card for entry 4310388

Structure parameters

• Formula: C41 H45 O2 Ta
• Calculated formula: C41 H45 O2 Ta
• SMILES: [Ta]1(Oc2c(C(C)C)cccc2CCc2c(O1)c(ccc2)C(C)C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• 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: 10.2826 ± 0.0003 Å
• b: 16.6334 ± 0.0006 Å
• c: 20.0078 ± 0.0007 Å
• α: 90°
• β: 90.702 ± 0.001°
• γ: 90°
• Cell volume: 3421.8 ± 0.2 ų
• Cell temperature: 443 ± 2 K
• Ambient diffraction temperature: 443 ± 2 K
• Number of distinct elements: 4
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No