Information card for entry 4500694

Structure parameters

• Formula: C36 H102 Cu5 N20 O88.5 P2 Tb W22
• Calculated formula: C36 H80 Cu5 N20 O88.5 P2 Tb 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: 13.702 ± 0.0008 Å
• b: 19.324 ± 0.001 Å
• c: 25.3506 ± 0.0014 Å
• α: 105.382 ± 0.001°
• β: 104.017 ± 0.001°
• γ: 99.958 ± 0.001°
• Cell volume: 6074 ± 0.6 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: 0.0692
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No