Information card for entry 4518398

Structure parameters

• Formula: C72 H151 Cu12 Mo10 O149 P V2
• Calculated formula: C72 H122 Cu12 Mo9.9996 O149 P V2.0004
• Title of publication: Polyoxometalate-Based Metal-Organic Frameworks with Unique High-Nuclearity Water Clusters.
• Authors of publication: Du, Ze-Yu; Yu, Yan-Zhao; Hong, Ya-Lin; Li, Ning-Fang; Han, Ye-Min; Cao, Jia-Peng; Sun, Qi; Mei, Hua; Xu, Yan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 51
• Pages of publication: 57174 - 57181
• a: 26.3605 ± 0.0013 Å
• b: 26.3605 ± 0.0013 Å
• c: 26.3605 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18317.3 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No