Information card for entry 2021271

Structure parameters

• Formula: C20 H28 Mo8 N8 O26
• Calculated formula: C20 H28 Mo8 N8 O26
• SMILES: [Mo]1234(=O)O[Mo]56([O]784[Mo]49%10([O]%11%123[Mo]3([O]2[Mo]8([O]93)(O6)(=O)=O)(=O)(=O)O[Mo]%11(=O)(=O)(O[Mo]2%12([O]1[Mo]7([O]%102)(=O)(=O)O5)(=O)=O)O4)=O)(=O)=O.Nc1[nH+]cccc1.[nH+]1c(N)cccc1.[nH+]1c(N)cccc1.[nH+]1c(N)cccc1
• Title of publication: Supramolecular interaction-induced assemblies of polyanions and 2-aminopyridinium in two polyoxometalate-based hybrids
• Authors of publication: Duan, Fengxue; Liu, Xiaoting; Xu, Wei; Tao, Yanchun; Li, Bao; Wu, Lixin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 10.4179 ± 0.0003 Å
• b: 10.5225 ± 0.0004 Å
• c: 10.5988 ± 0.0004 Å
• α: 65.356 ± 0.001°
• β: 69.658 ± 0.001°
• γ: 77.922 ± 0.001°
• Cell volume: 987.36 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes