Information card for entry 4500693

Structure parameters

• Formula: C36 H101 Cu5 Gd N20 O88 P2 W22
• Calculated formula: C36 H80 Cu5 Gd N20 O88 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: 13.7083 ± 0.0016 Å
• b: 19.323 ± 0.002 Å
• c: 25.369 ± 0.003 Å
• α: 105.421 ± 0.002°
• β: 104.048 ± 0.002°
• γ: 99.871 ± 0.002°
• Cell volume: 6080.9 ± 1.2 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: 0.0769
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No