Information card for entry 1512940

Structure parameters

• Formula: C42 H54 O16 Ta2
• Calculated formula: C42 H54 O16 Ta2
• SMILES: [Ta]12([O]=C(c3c(O[Ta]4([O]=C(c5c(O1)cc(cc5)OC)c1c(O4)cc(cc1)OC)(OCC)(OCC)OCC)cc(cc3)OC)c1c(O2)cc(cc1)OC)(OCC)(OCC)OCC
• 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: 12.2415 ± 0.0015 Å
• b: 13.36 ± 0.0017 Å
• c: 13.7173 ± 0.0017 Å
• α: 83.088 ± 0.002°
• β: 87.469 ± 0.002°
• γ: 77.4 ± 0.002°
• Cell volume: 2173.1 ± 0.5 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: 0.027
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No