Information card for entry 7009544

Structure parameters

• Formula: C51 H107 O18 Ta5
• Calculated formula: C51 H107 O18 Ta5
• SMILES: [Ta]1234(O[Ta]56([O]3[Ta]7([O]5[Ta]89([O]2[Ta]1(O4)(OC(C)(C)C)(O8)(OC(C)(C)C)[O]79)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)([O]6C(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.Cc1ccccc1
• 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: 12.421 ± 0.003 Å
• b: 12.854 ± 0.002 Å
• c: 22.921 ± 0.004 Å
• α: 78.78 ± 0.09°
• β: 79.79 ± 0.02°
• γ: 80.63 ± 0.03°
• Cell volume: 3501.4 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1546
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No