Information card for entry 7227485

Structure parameters

• Formula: C33 H56 Cu2 N12 O44 Si W12
• Calculated formula: C33 H46 Cu2 N12 O44 Si W12
• Title of publication: Using a flexible bis(pyrazol) ligand to construct four new Keggin-based compounds: syntheses, structures and properties
• Authors of publication: Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 5774
• a: 15.2377 ± 0.0013 Å
• b: 18.6736 ± 0.0016 Å
• c: 25.291 ± 0.002 Å
• α: 90°
• β: 97.928 ± 0.002°
• γ: 90°
• Cell volume: 7127.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No