Information card for entry 7009542

Structure parameters

• Formula: C40 H100 O30 Ta8
• Calculated formula: C40 H100 O30 Ta8
• SMILES: C(C)[O]1[Ta]234([O]5[Ta]61(O[Ta]1(O3)(OCC)(O[Ta]378([O]9[Ta]([O]3CC)(O[Ta](O2)(O7)(OCC)(O[Ta]5([O]6CC)(OCC)(OCC)[O]4CC)OCC)(OCC)(OCC)[O](CC)[Ta]9(OCC)(OCC)([O]8CC)O1)OCC)OCC)(OCC)OCC)OCC
• Title of publication: Polynuclear tantalum oxoalkoxides. Crystal structures of [Ta8O10(OEt)20], [Ta7O9(OPri)17] and [Ta5O7(OBut)11]·C6H5Me
• Authors of publication: Isaac Abrahams; Donald C. Bradley; Halina Chudzynska; Majid Motevalli; Paul O'Shaughnessy
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2685 - 2691
• a: 16.956 ± 0.002 Å
• b: 14.131 ± 0.001 Å
• c: 14.927 ± 0.002 Å
• α: 90°
• β: 90.09 ± 0.01°
• γ: 90°
• Cell volume: 3576.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.115
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No