Information card for entry 7056503

Structure parameters

• Common name: 3
• Chemical name: 3
• Formula: C84 H100 Cu N28 O134 P4 W36
• Calculated formula: C84 H66 Cu N28 O134 P4 W36
• Title of publication: Self-assembly of polyoxometalate-based hybrid aggregates: from monomer to dimer via changing pH value of reaction systems
• Authors of publication: Li, Shaobin; Zhang, Li; Chai, Dong Feng; Pang, Haijun; Ma, Huiyuan
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 10148 - 10154
• a: 14.094 ± 0.005 Å
• b: 15.243 ± 0.005 Å
• c: 22.026 ± 0.005 Å
• α: 80.802 ± 0.005°
• β: 87.439 ± 0.005°
• γ: 70.886 ± 0.005°
• Cell volume: 4413 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0812
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No