Information card for entry 7236540

Structure parameters

• Formula: C126 H88 Mo12 N42 O42 P Zn4
• Calculated formula: C126 H88 Mo12 N42 O42 P Zn4
• Title of publication: A highly stable polyoxometalate-based metal‒organic framework with π‒π stacking for enhancing lithium ion battery performance
• Authors of publication: Huang, Qing; Wei, Tao; Zhang, Mi; Dong, Long-Zhang; Zhang, A-Man; Li, Shun-Li; Liu, Wen-Jing; Liu, Jiang; Lan, Ya-Qian
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 18
• Pages of publication: 8477
• a: 18.409 ± 0.006 Å
• b: 11.458 ± 0.004 Å
• c: 33.879 ± 0.01 Å
• α: 90°
• β: 100.97 ± 0.004°
• γ: 90°
• Cell volume: 7016 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1087
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No