Information card for entry 7227484

Structure parameters

• Formula: C44 H100 Cu2 N16 O58 Si W12
• Calculated formula: C44 H56 Cu2 N16 O41 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: 35.318 ± 0.005 Å
• b: 23.532 ± 0.005 Å
• c: 23.25 ± 0.005 Å
• α: 90 ± 0.005°
• β: 117.176 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 17190 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No