Information card for entry 7125853

Structure parameters

• Chemical name: orthorhombic
• Formula: C23 H58 N10 Ni7 O43 P W9
• Calculated formula: C23 H60 N10 Ni7 O44 P W9
• Title of publication: A bi-polyoxometallate-based host-guest metal-organic framework.
• Authors of publication: Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 16
• Pages of publication: 2503 - 2506
• a: 13.4578 ± 0.0004 Å
• b: 14.1507 ± 0.0006 Å
• c: 36.0116 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6858 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No