Information card for entry 4509529

Structure parameters

• Formula: C44 H146 Er2 N10 O92 P2 W22
• Calculated formula: C44 H126 Er2 N10 O92 P2 W22
• Title of publication: Assembly Chemistry between Lanthanide Cations and Monovacant Keggin Polyoxotungstates: Two Types of Lanthanide Substituted Phosphotungstates [{(α-PW11O39H)Ln(H2O)3}2]6−and [{(α-PW11O39)Ln(H2O)(η2,μ-1,1)-CH3COO}2]10−
• Authors of publication: Niu, Jingyang; Wang, Kaihua; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Li, Mingxue; Bai, Yan; Dang, Dongbin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 4362
• a: 25.201 ± 0.0015 Å
• b: 12.7295 ± 0.0007 Å
• c: 22.3888 ± 0.0013 Å
• α: 90°
• β: 115.356 ± 0.001°
• γ: 90°
• Cell volume: 6490.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No