Information card for entry 1516911

Structure parameters

• Formula: C108 H146 Mo16 N12 O79
• Calculated formula: C108 H116 Mo16 N12 O79
• 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: 19.9057 ± 0.0008 Å
• b: 11.0481 ± 0.0003 Å
• c: 24.3389 ± 0.0013 Å
• α: 90°
• β: 127.481 ± 0.003°
• γ: 90°
• Cell volume: 4247.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No