Information card for entry 7227482

Structure parameters

• Formula: C44 H72 Cu2 N16 O82 P2 W24
• Calculated formula: C44 H64 Cu2 N16 O82 P2 W24
• 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: 12.444 ± 0.002 Å
• b: 14.557 ± 0.003 Å
• c: 17.393 ± 0.003 Å
• α: 94.102 ± 0.004°
• β: 105.644 ± 0.004°
• γ: 101.451 ± 0.003°
• Cell volume: 2947.4 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No