Information card for entry 7036171

Structure parameters

• Formula: C42 H49 Ag4 Mo12 N14 O42 P S2
• Calculated formula: C42 H48 Ag4 Mo12 N14 O42 P S2
• Title of publication: Three new POM-based compounds constructed by rigid thiabendazole and flexible bis(pyrazole) ligands: structures and properties for Hg(2+) recognition.
• Authors of publication: Tian, Aixiang; Ning, Yali; Yang, Yang; Hou, Xue; Ying, Jun; Liu, Guocheng; Zhang, Juwen; Wang, Xiuli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 16486 - 16493
• a: 14.7828 ± 0.0006 Å
• b: 18.2643 ± 0.0008 Å
• c: 14.7157 ± 0.0006 Å
• α: 90°
• β: 110.383 ± 0.001°
• γ: 90°
• Cell volume: 3724.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No