Information card for entry 4500695

Structure parameters

• Formula: C36 H102 Cu5 Er N20 O88.5 P2 W22
• Calculated formula: C36 H80 Cu5 Er N20 O88.5 P2 W22
• Title of publication: 1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals
• Authors of publication: Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3769
• a: 13.7089 ± 0.0013 Å
• b: 19.2704 ± 0.0018 Å
• c: 25.333 ± 0.002 Å
• α: 105.13 ± 0.002°
• β: 104.191 ± 0.001°
• γ: 99.847 ± 0.002°
• Cell volume: 6062.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No