Information card for entry 4501525

Structure parameters

• Formula: C80 H140 N40 Na4 O80 Si W12
• Calculated formula: C80 H100 N40 Na4 O80 Si W12
• Title of publication: Construction of Train-Like Supramolecular Structures from Decamethylcucurbit[5]uril and Iso- or Hetero-Keggin-Type Polyoxotungstates
• Authors of publication: Lin, Jing-Xiang; Lü, Jian; Yang, Hong-Xun; Cao, Rong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1966
• a: 15.194 ± 0.003 Å
• b: 32.016 ± 0.006 Å
• c: 14.397 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7003 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No