Information card for entry 7111626

Structure parameters

• Formula: C80 H86 Cu4 N16 O86 P2 W24
• Calculated formula: C80 H72 Cu4 N16 O80 P2 W24
• Title of publication: A polyoxometalate-encapsulated 3D porous metal‒organic pseudo-rotaxane framework
• Authors of publication: Pang, Hai-jun; Peng, Jun; Zhang, Chun-jing; Li, Yang-guang; Zhang, Peng-peng; Ma, Hui-yuan; Su, Zhong-min
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 28
• Pages of publication: 5097 - 5099
• a: 14.172 ± 0.005 Å
• b: 24.011 ± 0.005 Å
• c: 26.274 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 8941 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 48
• Hermann-Mauguin space group symbol: P n n n :2
• Hall space group symbol: -P 2ab 2bc
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No