Information card for entry 7057034

Structure parameters

• Formula: C22 H23.5 As Cl2 Cu5 N11 O31.75 W9
• Calculated formula: C22 H23.5 As Cl2 Cu5 N11 O31.75 W9
• Title of publication: A new 3D POMOF with two channels consisting of Wells‒Dawson arsenotungstate and {Cl4Cu10(pz)11} complexes: synthesis, crystal structure, and properties
• Authors of publication: Cong, Bo-Wen; Su, Zhan-Hua; Zhao, Zhi-Feng; Zhao, Wen-Qi; Ma, Xiu-Juan; Xu, Qiu; Du, Li-Juan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 4596
• a: 27.5445 ± 0.0019 Å
• b: 14.3006 ± 0.001 Å
• c: 27.9545 ± 0.0019 Å
• α: 90°
• β: 110.075 ± 0.001°
• γ: 90°
• Cell volume: 10342.4 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No