Information card for entry 1512941

Structure parameters

• Formula: C60 H90 O16 Ta2
• Calculated formula: C60 H90 O16 Ta2
• SMILES: [Ta]12(Oc3cc(OC)ccc3C3=[O][Ta](Oc4cc(OC)ccc4C(=[O]2)c2c(O1)cc(OC)cc2)(Oc1cc(OC)ccc31)(OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C)(OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C
• Title of publication: Structural characterization of the coordination behavior of 4,4'-di-methoxy,2,2'-di-ol-benzophenone modified metal alkoxides
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Ottley
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2010
• Journal volume: 364
• Journal issue: 1
• Pages of publication: 69 - 80
• a: 9.887 ± 0.003 Å
• b: 12.448 ± 0.004 Å
• c: 14.685 ± 0.004 Å
• α: 77.165 ± 0.005°
• β: 84.363 ± 0.005°
• γ: 83.424 ± 0.005°
• Cell volume: 1745.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No