Information card for entry 7211035

Structure parameters

• Formula: C48 H36 Cu6 O70 P W12
• Calculated formula: C48 H36 Cu6 O70 P W12
• Title of publication: Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control
• Authors of publication: He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9340
• a: 18.7659 ± 0.0011 Å
• b: 18.7659 ± 0.0011 Å
• c: 11.3114 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3449.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1406
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.3207
• Weighted residual factors for all reflections included in the refinement: 0.3418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No