Information card for entry 7055319

Structure parameters

• Formula: C48 H40 Cu2 Mo8 N16 O26
• Calculated formula: C48 H40 Cu2 Mo8 N16 O26
• Title of publication: “Pinwheel” Subunit-Directed A Polyoxometalate-Based Hybrid Compound [Cu(bimb)2]2[β-Mo8O26] with Both Helixes and Chiral Layers
• Authors of publication: Sun, Wenlong; Yu, Jia; Pang, Haijun; Ma, Huiyuan; Zhao, Chunyan
• Journal of publication: New J. Chem.
• Year of publication: 2016
• a: 12.816 ± 0.005 Å
• b: 17.289 ± 0.005 Å
• c: 16.132 ± 0.005 Å
• α: 90 ± 0.005°
• β: 111.716 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3320.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No