Information card for entry 7211037

Structure parameters

• Formula: C118 H142 Cu4 N10 O88 P W12
• Calculated formula: C118 H142 Cu4 N10 O88 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: 18.041 ± 0.0038 Å
• b: 27.83 ± 0.0058 Å
• c: 24.1272 ± 0.0051 Å
• α: 90°
• β: 106.695 ± 0.003°
• γ: 90°
• Cell volume: 11603 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No