Information card for entry 1512944

Structure parameters

• Formula: C50 H44 N4 O14 W2
• Calculated formula: C50 H44 N4 O14 W2
• SMILES: [W]12(Oc3c(ccc(OC)c3)C(=[O]1)c1c(O[W]3(Oc4cc(OC)ccc4C(=[O]3)c3c(O2)cc(OC)cc3)(=O)(=O)[n]2ccccc2)cc(OC)cc1)(=O)(=O)[n]1ccccc1.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: 10.0466 ± 0.0006 Å
• b: 11.4273 ± 0.0007 Å
• c: 12.4642 ± 0.0008 Å
• α: 98.258 ± 0.001°
• β: 107.577 ± 0.001°
• γ: 115.985 ± 0.001°
• Cell volume: 1160.93 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No