Information card for entry 7202022

Structure parameters

• Formula: C28 H48 Cu4 N24 O50 P W12
• Calculated formula: C28 H16 Cu4 N24 O50 P W12
• Title of publication: A novel (4,8)-connected 3D polyoxometalate-based metal‒organic framework containing an in situ ligand
• Authors of publication: Lan, Ya-Qian; Li, Shun-Li; Li, Yang-Guang; Su, Zhong-Min; Shao, Kui-Zhan; Wang, Xin-Long
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1129
• a: 15.3782 ± 0.0019 Å
• b: 16.46 ± 0.002 Å
• c: 20.12 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5092.9 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No