Information card for entry 7202023

Structure parameters

• Formula: C64 H84 Cu4 F8 Mo24 N26 O88 P2
• Calculated formula: C64 H80 Cu4 F8 Mo24 N26 O88 P2
• 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: 14.501 ± 0.003 Å
• b: 15.205 ± 0.004 Å
• c: 16.228 ± 0.004 Å
• α: 80.506 ± 0.003°
• β: 89.984 ± 0.003°
• γ: 75.23 ± 0.003°
• Cell volume: 3409.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0833
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No