Information card for entry 7225804

Structure parameters

• Formula: C40 H32 Cu4 N24 O40 Si W12
• Calculated formula: C40 H32 Cu4 N24 O40 Si W12
• Title of publication: Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands
• Authors of publication: Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 34
• Pages of publication: 6389
• a: 35.1044 ± 0.0007 Å
• b: 35.1044 ± 0.0007 Å
• c: 11.7352 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14461.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No