Information card for entry 1512943

Structure parameters

• Formula: C60 H78 N2 O16 W2
• Calculated formula: C60 H78 N2 O16 W2
• SMILES: [W]12([O]=C(c3c(O1)cc(OC)cc3)c1c(O[W]3(Oc4cc(OC)ccc4C(=[O]3)c3c(O2)cc(OC)cc3)(OCC(C)(C)C)(OCC(C)(C)C)=O)cc(OC)cc1)(OCC(C)(C)C)(OCC(C)(C)C)=O.n1ccccc1.n1ccccc1
• 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: 12.598 ± 0.005 Å
• b: 16.56 ± 0.006 Å
• c: 14.716 ± 0.005 Å
• α: 90°
• β: 95.895 ± 0.005°
• γ: 90°
• Cell volume: 3053.9 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No