Information card for entry 7236541

Structure parameters

• Formula: C32 H18 Mo12 N6 O48 P Zn4
• Calculated formula: C32 H18 Mo12 N6 O48 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: 54.438 ± 0.002 Å
• b: 14.5003 ± 0.0006 Å
• c: 39.5817 ± 0.0017 Å
• α: 90°
• β: 128.01 ± 0.001°
• γ: 90°
• Cell volume: 24617.6 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1406
• Residual factor for significantly intense reflections: 0.1331
• Weighted residual factors for significantly intense reflections: 0.2917
• Weighted residual factors for all reflections included in the refinement: 0.297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No