Information card for entry 7036169

Structure parameters

• Formula: C54 H43 Ag6 N16 O44 P S4 W12
• Calculated formula: C54 H40 Ag6 N16 O44 P S4 W12
• 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: 13.723 ± 0.0006 Å
• b: 13.9629 ± 0.0006 Å
• c: 14.3365 ± 0.0006 Å
• α: 61.891 ± 0.001°
• β: 82.993 ± 0.001°
• γ: 63.876 ± 0.001°
• Cell volume: 2162.81 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No