Information card for entry 1516912

Structure parameters

• Formula: C54 H70 N6 O52 Si W12
• Calculated formula: C54 H58 N6 O52 Si W12
• Title of publication: Two new polyoxometalate-templated supramolecular compounds constructed by a new tridentate ligand 2,4,6-tris[1-(4-oxidroxypyridinium)-ylmethyl]-mesitylene
• Authors of publication: Jiao Guo; Jin Yang; Ying-Ying Liu; Jian-Fang Ma
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 51 - 58
• a: 13.756 ± 0.005 Å
• b: 23.821 ± 0.008 Å
• c: 12.814 ± 0.005 Å
• α: 90°
• β: 111.482 ± 0.004°
• γ: 90°
• Cell volume: 3907 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No